SCHEMBL7733967

SCHEMBL7733967

O=C(O)CCc1ccc(OC2CCCC2)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
S1PR1 P21453 1/20 0.47
FFAR1 O14842 6/20 0.47
PDE4A P27815 2/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 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
SCHEMBL7735708 0.99 THRA (0.52) FFAR4THRATHRBS1PR1FFAR1
SCHEMBL7725094 0.93 FFAR4 (0.49) FFAR4THRATHRBPLA2G10PLA2G2A
SCHEMBL7735139 0.92 FFAR4 (0.48) FFAR4THRATHRBPLA2G10PLA2G2A
SCHEMBL3679192 0.89 FFAR4 (0.58) FFAR4THRATHRBS1PR1FFAR1
SCHEMBL27536403 0.88 PTPN1 (0.54) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL3883711 0.88 FFAR4 (0.57) FFAR4THRATHRBS1PR1FFAR1
SCHEMBL7735879 0.87 PTPN1 (0.53) THRATHRBPDE4APDE4BPDE4C
SCHEMBL3884621 0.84 FFAR4 (0.48) FFAR4THRATHRBS1PR1FFAR1
SCHEMBL9681173 0.84 THRA (0.52) FFAR4THRATHRBS1PR1FFAR1
SCHEMBL7735343 0.84 PTPN1 (0.47) PDE4APDE4BPDE4CPDE4DHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1103332-C Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2003-03-19 CN claimed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US claimed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN claimed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP claimed
CN-1103332-C Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2003-03-19 CN disclosed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed