SCHEMBL7734859

SCHEMBL7734859

O=C(O)CCCc1ccc(OCC2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
FABP3 P05413 3/20 0.45
FABP4 P15090 3/20 0.45
FFAR4 Q5NUL3 7/20 0.43
CYP1A2 P05177 2/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
EPHX2 P34913 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7734106 0.99 C5AR1 (0.49) C5AR1THRATHRBPTGER1PTGER4
SCHEMBL1013811 0.93 THRA (0.54) C5AR1THRATHRBPTGER1PTGER4
SCHEMBL7725119 0.92 THRA (0.52) C5AR1THRATHRBPTGER1PTGER4
SCHEMBL8984900 0.92 THRA (0.51) C5AR1THRATHRBFFAR4CYP1A2
SCHEMBL7734075 0.89 C5AR1 (0.52) C5AR1EPHX2
SCHEMBL3677382 0.89 CYP1A2 (0.53) C5AR1THRATHRBPTGER1PTGER4
SCHEMBL7734891 0.88 C5AR1 (0.51) C5AR1
SCHEMBL7724931 0.87 C5AR1 (0.56) C5AR1THRATHRBPTGER1
SCHEMBL7725535 0.85 C5AR1 (0.57) C5AR1THRATHRBPTGER1
SCHEMBL8984902 0.85 THRA (0.60) C5AR1THRATHRBPTGER1FFAR4

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