SCHEMBL9262017

SCHEMBL9262017

O=C1C=C(c2ccc(OCCCc3ccccc3)cc2)C(O)O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
MAOB P27338 6/20 0.44
MAOA P21397 5/20 0.44
PPARG P37231 4/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
PPARA Q07869 2/20 0.42
PTPN1 P18031 1/20 0.41
HPGD P15428 1/20 0.41
PLA2G4B P0C869 1/20 0.41

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
SCHEMBL9270208 0.81 HDAC1 (0.46) PPARGPPARA
SCHEMBL9268768 0.74 GPR52 (0.39)
SCHEMBL9269316 0.70 MAOA (0.40) MAOBMAOAHPGD
SCHEMBL9266806 0.70 MAPT (0.39) MAOBMAOA
SCHEMBL9266699 0.70 MAPT (0.39) MAOBMAOA
SCHEMBL839323 0.69 DRD2 (0.71) FFAR1MAOBMAOAS1PR1S1PR3
SCHEMBL2096374 0.68 FFAR1 (0.65) FFAR1MAOBMAOAS1PR1S1PR3
SCHEMBL1837433 0.68 LMNA (0.66) FFAR1S1PR1S1PR3
SCHEMBL9042056 0.68 FFAR1 (0.65) FFAR1PPARGS1PR1S1PR3PTPN1
SCHEMBL4361279 0.68 PLA2G4B (0.76) FFAR1PPARGS1PR1S1PR3PLA2G4B

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
US-5464865-A Enzyme inhibitors as antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1995-11-07 US disclosed