SCHEMBL7269709

SCHEMBL7269709

C=CC(=O)OCc1ccc(C)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 7/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 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
SCHEMBL13945599 0.88 THRB (0.43) HPGDSMN1; SMN2THRBMAPTTSHR
SCHEMBL23695683 0.83 ALDH1A1 (0.47) HPGDSMN1; SMN2THRBMAPTTSHR
SCHEMBL15366668 0.83 TSHR (0.41) HPGDSMN1; SMN2THRBMAPTTSHR
SCHEMBL4195357 0.81 SMN1; SMN2 (0.42) HPGDSMN1; SMN2THRBMAPTTSHR
SCHEMBL7279182 0.81 ALOX5 (0.40) ALOX5HPGDSMN1; SMN2MAPTTSHR
SCHEMBL3974470 0.79 ALDH1A1 (0.53) ALOX5HPGDSMN1; SMN2MAPTTSHR
SCHEMBL13945607 0.79 ALDH1A1 (0.51) HPGDSMN1; SMN2THRBMAPTTSHR
SCHEMBL16358205 0.77 ALOX5 (0.53) ALOX5HPGDSMN1; SMN2MAPTTSHR
SCHEMBL25863990 0.77 TSHR (0.40) ALOX5HPGDSMN1; SMN2THRBTSHR
SCHEMBL4199672 0.76 TSHR (0.53) HPGDSMN1; SMN2THRBTSHRALDH1A1

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-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed