SCHEMBL418929

SCHEMBL418929

CC(C)(OC(=O)CCN)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
KIF11 P52732 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP3A4 P08684 2/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNN4 O15554 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL2678001 0.87 CYP2C19 (0.48) CYP2C19HIF1AALDH1A1ALOX15MAPK1
SCHEMBL27558556 0.86 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1ALOX15MAPK1
Hydrochloric Acid SCHEMBL7308786 0.86 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1ALOX15MAPK1
SCHEMBL18506508 0.86 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1ALOX15MAPK1
SCHEMBL30367953 0.84 CYP2C19 (0.46) CYP2C19HIF1AALDH1A1ALOX15MAPK1
SCHEMBL3880018 0.83 ALDH1A1 (0.52) CYP2C19HIF1AALDH1A1ALOX15MAPK1
SCHEMBL7156296 0.83 CYP2C19 (0.44) CYP2C19HIF1AALDH1A1ALOX15MAPK1
Tert-Butylbenzene SCHEMBL28468141 0.83 CYP2C19 (0.44) CYP2C19HIF1AMAPTKMT2ATAAR1
SCHEMBL42692 0.81 CYP2C19 (0.50) CYP2C19HIF1AALDH1A1ALOX15MAPK1
SCHEMBL13704978 0.81 ALDH1A1 (0.50) CYP2C19HIF1AALDH1A1ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194358-A1 Synthetic Antibodies ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-06-27 US disclosed
US-9863938-B2 Synthetic antibodies ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-09 US disclosed
US-20140221253-A1 Synthetic Antibodies Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2014-08-07 US disclosed
US-20140128280-A1 Synthetic Antibodies Arizona Board of Regents, a body corporate of the State of Arizona, acting for and on behaif of Ariz (US) 2014-05-08 US disclosed
US-20120065123-A1 Synthetic Antibodies NATIONAL INSTITUTES OF HEALTH 2012-03-15 US disclosed
US-20120021967-A1 SYNTHETIC ANTIBODIES Arizona Board of Regents, A Body Corporate of the State Of Arizona Acting for and Behalf of Arizona (US) 2012-01-26 US disclosed
US-20110143953-A1 Synthetic Antibodies ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA 2011-06-16 US disclosed
WO-2010111299-A2 SYNTHETIC ANTIBODIES THE ARIZONA BOARD OF REGENTS A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2010-09-30 WO disclosed
WO-2010059958-A2 ARTIFICIAL LECTIN MIMICS AND USES THEREOF ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2010-05-27 WO disclosed
EP-2076614-A2 SYNTHETIC ANTIBODIES The Arizona Board of Regents, A Body Corporate Of the State of Arizona acting for and on behalf Of Arizona State University (US) 2009-07-08 EP disclosed
WO-2008048970-A2 SYNTHETIC ANTIBODIES THE ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-04-24 WO disclosed