SCHEMBL7737650

SCHEMBL7737650

CCCCCOc1ccc(CCCC(=O)OC)cc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
PPARG P37231 6/20 0.49
PPARA Q07869 4/20 0.49
PTPN1 P18031 2/20 0.48
KDM4E B2RXH2 4/20 0.46
PTPN11 Q06124 2/20 0.46
C5AR1 P21730 1/20 0.44
LTB4R Q15722 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 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
SCHEMBL7737515 0.97 THRA (0.49) THRATHRBPPARGPPARAPTPN1
SCHEMBL7734899 0.94 PTPN1 (0.55) THRATHRBPPARGPPARAPTPN1
SCHEMBL7734829 0.91 PTPN1 (0.48) THRATHRBPTPN1KDM4EC5AR1
SCHEMBL7735854 0.91 PTPN1 (0.48) THRATHRBPTPN1KDM4EC5AR1
SCHEMBL7725111 0.91 PTPN1 (0.56) THRATHRBPPARGPPARAPTPN1
SCHEMBL8984878 0.91 PPARG (0.49) PPARGPPARAALDH1A1
SCHEMBL7733989 0.90 THRA (0.56) THRATHRBPPARGPPARAPTPN1
SCHEMBL7724915 0.89 PTPN1 (0.48) THRATHRBPTPN1C5AR1
SCHEMBL7735769 0.89 PTPN1 (0.49) THRATHRBPTPN1KDM4EC5AR1
SCHEMBL7734111 0.87 PTPN1 (0.49) THRATHRBPPARGPPARAPTPN1

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
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed