SCHEMBL8149382

SCHEMBL8149382

Cc1ccc(C2C[C@@H]2C(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
ALDH1A1 P00352 2/20 0.48
IDO1 P14902 3/20 0.44
AR P10275 3/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMO O15229 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL7002253 1.00 FFAR1 (0.51) FFAR1ALDH1A1IDO1ARSLC6A2
SCHEMBL8149379 1.00 FFAR1 (0.51) FFAR1ALDH1A1IDO1ARSLC6A2
SCHEMBL7002249 1.00 FFAR1 (0.51) FFAR1ALDH1A1IDO1ARSLC6A2
SCHEMBL27426841 0.87 FFAR1 (0.51) FFAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL8152908 0.87 FFAR1 (0.51) FFAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL7003669 0.87 FFAR1 (0.51) FFAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL8152906 0.87 FFAR1 (0.51) FFAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL7003675 0.87 FFAR1 (0.51) FFAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL14301510 0.85 FFAR1 (0.55) FFAR1ALDH1A1IDO1CYP1A2CYP3A4
SCHEMBL6999004 0.85 FFAR1 (0.55) FFAR1ALDH1A1IDO1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996621-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-05-03 EP disclosed
WO-1999005143-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-02-04 WO disclosed