SCHEMBL7737487

SCHEMBL7737487

CCCCOc1ccc(CCCC(=O)NCC)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
C5AR1 P21730 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
CNR2 P34972 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL7724925 0.87 THRA (0.52) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL7737515 0.86 THRA (0.49) HPGDTHRATHRBKDM4EALDH1A1
SCHEMBL7737444 0.86 THRA (0.51) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL7733989 0.84 THRA (0.56) THRATHRBKDM4E
SCHEMBL7734788 0.83 RXRA (0.53) THRATHRBKDM4ELMNA
SCHEMBL7737650 0.83 THRA (0.53) THRATHRBKDM4EALDH1A1C5AR1
SCHEMBL7725111 0.83 PTPN1 (0.56) THRATHRBKDM4EALDH1A1C5AR1
SCHEMBL7734086 0.80 THRA (0.57) THRATHRBKDM4ELMNA
SCHEMBL7734899 0.80 PTPN1 (0.55) THRATHRBKDM4EALDH1A1C5AR1
SCHEMBL7725029 0.80 CYP1A2 (0.52) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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