SCHEMBL20124823

SCHEMBL20124823

CCc1ccccc1/C=C/C(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGER3 P43115 7/20 0.43
PTGER2 P43116 7/20 0.43
PTGER4 P35408 5/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
TBXA2R P21731 4/20 0.41
PTGDR Q13258 4/20 0.41
NR4A2 P43354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL20124820 0.87 ALOX5 (0.42) ALOX5NPC1L3MBTL1PTGER3PTGER2
SCHEMBL1150939 0.80 PTGER3 (0.63) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL12075162 0.80 LMNA (0.61) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL3214322 0.80 PTGER3 (0.63) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL309761 0.80 PTGER3 (0.63) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL19954281 0.79 TRPM8 (0.48) ALOX5CCNCCDK8NR4A2ALDH1A1
SCHEMBL3732406 0.79 TRPM8 (0.48) ALOX5CCNCCDK8NR4A2ALDH1A1
SCHEMBL27680267 0.79 PTGER3 (0.45) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL27667797 0.79 PTGER3 (0.45) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL780429 0.78 IAPP (0.47) ALOX5PTGER3PTGER2PTGER4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed