SCHEMBL850696

SCHEMBL850696

Cc1ncsc1CCP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
SLC6A3 Q01959 1/20 0.38
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13176554 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1LMNA
Phosphoric Acid SCHEMBL459429 0.82 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL459428 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL10667242 0.77 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL259480 0.75
SCHEMBL2642153 0.75
Hydrochloric Acid SCHEMBL14685862 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EMEN1LMNA
Bromide SCHEMBL6298964 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EMEN1LMNA
Bromide SCHEMBL6298962 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL1074418 0.73 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084704-B2 Methods for producing isobutene from 3-methylcrotonic acid GLOBAL BIOENERGIES (FR) 2024-09-10 US disclosed
EP-3688169-A2 GENETIC KNOCKOUTS IN WOOD-LJUNGDAHL MICROORGANISMS Lanzatech, Inc. (US) 2020-08-05 EP disclosed
US-20200239896-A1 GENETIC KNOCKOUTS IN WOOD-LJUNGDAHL MICROORGANISMS LANZATECH, INC. 2020-07-30 US disclosed
EP-2463654-B1 Compositions and methods for modeling saccharomyces cerevisiae metabolism UNIV CALIFORNIA (US) 2020-06-03 EP disclosed
EP-3622080-A1 IMPROVED METHODS FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONIC ACID Global Bioenergies (FR) 2020-03-18 EP disclosed
WO-2019068011-A2 GENETIC KNOCKOUTS IN WOOD-LJUNGDAHL MICROORGANISMS LANZATECH, INC. (US) 2019-04-04 WO disclosed
WO-2018206262-A9 IMPROVED METHODS FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONIC ACID GLOBAL BIOENERGIES (FR) 2019-03-14 WO disclosed
WO-2018206262-A1 IMPROVED METHODS FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONIC ACID GLOBAL BIOENERGIES (FR) 2018-11-15 WO disclosed
EP-2920314-A1 PROCESS FOR THE ENZYMATIC PREPARATION OF ISOPRENE FROM ISOPRENOL Global Bioenergies (FR) 2015-09-23 EP disclosed
EP-2771473-A1 PROCESS FOR THE ENZYMATIC PRODUCTION OF BUTADIENE FROM CROTYL ALCOHOL Scientist of Fortune S.A. (LU) 2014-09-03 EP disclosed
WO-2011034397-A2 METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES 한국과학기술원 (KR) 2011-03-24 WO disclosed
US-7869957-B2 Methods and systems to identify operational reaction pathways THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-11 US disclosed
US-20100280803-A1 Compositions and Methods for Modeling Saccharomyces cerevisiae Metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-11-04 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-7751981-B2 Articles of manufacture and methods for modeling Saccharomyces cerevisiae metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-06 US disclosed
US-20090259451-A1 REVERSE ENGINEERING GENOME-SCALE METABOLIC NETWORK RECONSTRUCTIONS FOR ORGANISMS WITH INCOMPLETE GENOME ANNOTATION AND DEVELOPING CONSTRAINTS USING PROTON FLUX STATES AND NUMERICALLY-DETERMINED SUB-SYSTEMS UNIVERSITY OF DELAWARE (US) 2009-10-15 US disclosed
EP-1438580-A4 COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM UNIV CALIFORNIA (US) 2007-11-14 EP disclosed
EP-1438580-A1 COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-07-21 EP disclosed
WO-2003036296-A9 COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM UNIV CALIFORNIA (US) 2004-05-13 WO disclosed
WO-2003036296-A1 COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-05-01 WO disclosed