SCHEMBL5780366

SCHEMBL5780366

CC(=O)Nc1cc(CCC(=O)O)cc(-c2ccc3ccccc3c2)c1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
FFAR1 O14842 3/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
MTNR1A P48039 1/20 0.39
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP2D6 P10635 1/20 0.35
CASR P41180 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3687803 0.92 CCNC (0.46) FFAR4THRATHRBCCNCCDK8
SCHEMBL3683736 0.91 FFAR4 (0.48) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3678558 0.91 FFAR4 (0.47) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3684362 0.90 FFAR4 (0.48) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3684041 0.87 THRA (0.48) FFAR4THRATHRBFFAR1CCNC
SCHEMBL27699026 0.87 FFAR4 (0.46) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3680094 0.87 FFAR4 (0.46) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3684873 0.87 FFAR4 (0.47) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3683933 0.86 THRA (0.52) FFAR4THRATHRBFFAR1CCNC
SCHEMBL3685321 0.85 FFAR4 (0.44) FFAR4THRATHRBFFAR1CCNC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed