SCHEMBL7737564

SCHEMBL7737564

CCCCOc1c(N)cc(CCC(=O)OC)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
TLR7 Q9NYK1 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
AKR1C3 P42330 1/20 0.39
LTB4R Q15722 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
LTA4H P09960 1/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7734098 0.94 LTB4R (0.40) PTPN1TLR7THRATHRBHDAC8
SCHEMBL27607975 0.86 CCNC (0.48) PTPN1TLR7THRATHRBCNR2
SCHEMBL7737488 0.83 PTPN1 (0.44) PTPN1THRATHRBHDAC8AKR1C3
SCHEMBL7735380 0.82 PTPN1 (0.44) PTPN1THRATHRBHDAC8AKR1C3
SCHEMBL3889870 0.82 CCNC (0.48) PTPN1ALOX5
SCHEMBL27402110 0.81 LTB4R (0.43) HDAC8LTB4RPPARGPPARAALOX5
SCHEMBL7735407 0.81 TRPV1 (0.43) CNR2CNR1PPARGPPARAALOX5
SCHEMBL27627133 0.81 CCNC (0.49) PTPN1ALOX5
SCHEMBL7725111 0.81 PTPN1 (0.56) PTPN1TLR7THRATHRBAKR1C3
SCHEMBL7725159 0.80 THRA (0.47) PTPN1THRATHRBMEN1KMT2A

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 4 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 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