SCHEMBL9159786

SCHEMBL9159786

CCOC(C(=O)O)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GAA P10253 2/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MC4R P32245 2/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
OPRM1 P35372 1/20 0.38
GLA P06280 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
SCHEMBL30001989 1.00 CNR2 (0.42) CNR2MEN1KMT2ACYP3A4CES2
SCHEMBL27865091 0.84 CNR2 (0.40) CNR2MEN1KMT2ACYP3A4CES2
SCHEMBL27512117 0.81 PPARA (0.41) MEN1KMT2APPARAOPRM1
SCHEMBL17724548 0.81 ALDH1A1 (0.51) CNR2MEN1KMT2ACYP3A4CES2
SCHEMBL5037418 0.81 ALDH1A1 (0.51) CNR2MEN1KMT2ACYP3A4CES2
SCHEMBL6388938 0.80 CNR2 (0.39) CNR2MEN1KMT2ACYP3A4CES2
SCHEMBL9283883 0.80 CNR2 (0.46) CNR2KMT2ACYP3A4PPARGPPARA
SCHEMBL29974418 0.78 MEN1 (0.57) CNR2MEN1KMT2ACYP3A4CES2
SCHEMBL9446766 0.78 MEN1 (0.57) CNR2MEN1KMT2ACYP3A4CES2
SCHEMBL27771442 0.78 HPGD (0.44) MEN1KMT2APPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed