SCHEMBL14625873

SCHEMBL14625873

CN[C@@H](Cc1ccc(Oc2ccc(CCC(=O)O)cc2)cc1)C(=O)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.55
SRD5A2 P31213 1/20 0.49
FFAR4 Q5NUL3 5/20 0.48
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP14 P50281 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GNA15 P30679 1/20 0.42
PTGER3 P43115 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14565827 0.90 ADRB2 (0.43) FFAR1SRD5A2FFAR4MMP9MMP8
SCHEMBL14045408 0.90 FFAR1 (0.55) FFAR1SRD5A2FFAR4LMNAL3MBTL1
SCHEMBL14155073 0.89 MMP9 (0.44) FFAR1MMP9MMP8MMP14
SCHEMBL14565792 0.89 MMP9 (0.44) FFAR1MMP9MMP8MMP14
SCHEMBL14021662 0.83 ITGB3 (0.49) FFAR1SRD5A2MMP9MMP8MMP14
SCHEMBL4597076 0.83 ITGB3 (0.49) FFAR1SRD5A2MMP9MMP8MMP14
SCHEMBL14021677 0.82 FFAR1 (0.57) FFAR1SRD5A2FFAR4LMNAL3MBTL1
SCHEMBL14115836 0.82 FFAR1 (0.57) FFAR1SRD5A2FFAR4LMNAL3MBTL1
SCHEMBL14045310 0.81 ADRB2 (0.44) FFAR1SRD5A2FFAR4MMP9MMP8
Hydrochloric Acid SCHEMBL4596957 0.81 FFAR1 (0.56) FFAR1SRD5A2FFAR4LMNAL3MBTL1

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
WO-2007005774-A2 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO disclosed