SCHEMBL6858339

SCHEMBL6858339

COc1cc(CCO)c([N+](=O)[O-])cc1OCCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
CYP2C19 P33261 3/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 7/20 0.44
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
CHEK1 O14757 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL329986 0.90 RAB9A (0.47) CTSDRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL4668525 0.89 HTR2A (0.48) CTSDRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL6326183 0.89 RAB9A (0.50) CTSDRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL14879925 0.86 TNF (0.50) CTSDRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL7407867 0.86 CTSD (0.57) CTSDRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL9249682 0.85 CTSD (0.53) CTSDRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL6573968 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL7415175 0.84 CTSD (0.53) CTSDRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL9250162 0.83 RAB9A (0.54) CTSDRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL14829128 0.83 CTSD (0.45) CTSDRAB9ASMN1; SMN2NPC1CYP2C19

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3565484-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2019-11-13 EP claimed
WO-2018129369-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2018-07-12 WO claimed
US-6787635-B2 azlactone-functionalized support such as a crosslinked polymer containing an alkenyl azlactone; use making combinatorial libraries 3M INNOVATIVE PROPERTIES COMPANY 2004-09-07 US claimed
EP-4185707-A1 BASE-MODIFIED NUCLEOTIDES AS SUBSTRATES FOR TDT-BASED ENZYMATIC NUCLEIC ACID Illumina Singapore Pte Ltd (SG) 2023-05-31 EP disclosed
WO-2023049816-A2 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-03-30 WO disclosed
EP-3681999-A1 ANTIBODY-MEDIATED DELIVERY OF CAS9 TO MAMMALIAN CELLS The Regents of the University of California (US) 2020-07-22 EP disclosed
EP-3565484-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2019-11-13 EP disclosed
WO-2019051428-A1 ANTIBODY-MEDIATED DELIVERY OF CAS9 TO MAMMALIAN CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-14 WO disclosed
WO-2018129369-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2018-07-12 WO disclosed
WO-2018057941-A1 MOLECULAR LOGIC GATES FOR CONTROLLED MATERIAL DEGRADATION UNIVERSITY OF WASHINGTON (US) 2018-03-29 WO disclosed
WO-2016115333-A1 OPTICAL SELECTION OF CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-07-21 WO disclosed
WO-2015168090-A1 MULTIMODE DEGRADABLE HYDROGELS FOR CONTROLLED RELEASE OF CARGO SUBSTANCES KIICK KRISTI L (US) 2015-11-05 WO disclosed
WO-2013049521-A2 LIGHT-ENABLED DRUG DELIVERY VIRGINIA COMMONWEALTH UNIVERSITY (US) 2013-04-04 WO disclosed
US-6515039-B1 A polyolefin supporting matrix and individual chains of a graft copolymer, which are synthesized by heterogeneous photoinitiated graft copolymerization of acrylate, vinyl and allyl monomers on the surface POLY-AN GMBH (DE) 2003-02-04 US disclosed
WO-1996000148-A1 METHODS FOR THE SOLID PHASE SYNTHESIS OF THIAZOLIDINONES, METATHIAZANONES, AND DERIVATIVES THEREOF AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 WO disclosed