SCHEMBL7735134

SCHEMBL7735134

O=C(O)CCc1ccc(OCC2CCCCC2)c(-c2ccc(O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
S1PR1 P21453 1/20 0.47
FFAR4 Q5NUL3 4/20 0.44
C5AR1 P21730 1/20 0.44
XDH P47989 2/20 0.43
FFAR1 O14842 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SRC P12931 1/20 0.40

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
SCHEMBL1013811 0.91 THRA (0.54) THRATHRBS1PR1FFAR4C5AR1
SCHEMBL3885965 0.91 THRA (0.50) THRATHRBS1PR1FFAR4C5AR1
SCHEMBL7725119 0.90 THRA (0.52) THRATHRBS1PR1FFAR4C5AR1
SCHEMBL8984902 0.90 THRA (0.60) THRATHRBS1PR1FFAR4C5AR1
SCHEMBL3679667 0.89 FFAR4 (0.49) THRATHRBS1PR1FFAR4XDH
SCHEMBL3690987 0.89 THRA (0.47) THRATHRBS1PR1FFAR4XDH
SCHEMBL7735726 0.88 C5AR1 (0.46) THRATHRBS1PR1C5AR1XDH
SCHEMBL7735332 0.88 FFAR1 (0.51) THRATHRBS1PR1FFAR4C5AR1
SCHEMBL9362335 0.86 THRA (0.54) THRATHRBS1PR1FFAR4XDH
SCHEMBL3888439 0.85 FFAR4 (0.54) THRATHRBS1PR1FFAR4C5AR1

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