SCHEMBL7734903

SCHEMBL7734903

COc1cc(CCC(=O)O)cc(-c2ccccc2)c1OCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.57
THRB P10828 3/20 0.57
FFAR1 O14842 6/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
C5AR1 P21730 1/20 0.42
ALOX5 P09917 1/20 0.40
FKBP1A P62942 1/20 0.40
FABP4 P15090 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PPARD Q03181 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL7735477 0.89 ALDH1A1 (0.50) THRATHRBALDH1A1KMT2AMEN1
SCHEMBL7724906 0.86 THRA (0.61) THRATHRBFFAR1ALDH1A1KMT2A
SCHEMBL3883525 0.83 THRA (0.48) THRATHRBFFAR1ALDH1A1KMT2A
SCHEMBL7734115 0.83 THRA (0.54) THRATHRBFFAR1ALDH1A1KMT2A
SCHEMBL7735322 0.82 THRA (0.55) THRATHRBFFAR1ALDH1A1KMT2A
SCHEMBL7734914 0.82 THRA (0.55) THRATHRBFFAR1ALDH1A1KMT2A
SCHEMBL1013811 0.81 THRA (0.54) THRATHRBFFAR1KMT2AMEN1
SCHEMBL7725082 0.81 THRA (0.53) THRATHRBFFAR1ALDH1A1KMT2A
SCHEMBL7725137 0.81 THRA (0.52) THRATHRBFFAR1ALDH1A1KMT2A
SCHEMBL7737493 0.80 THRB (0.48) THRATHRBALDH1A1KMT2AMEN1

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