SCHEMBL3884663

SCHEMBL3884663

CC(Cc1ccc(OCc2ccccc2C(F)(F)F)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ENPP2 Q13822 1/20 0.41
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
PTGS2 P35354 1/20 0.39
C5AR1 P21730 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL3887505 0.89 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3889293 0.88 PTGER1 (0.46) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3885225 0.87 PTGER1 (0.46) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL3886829 0.87 PTGER1 (0.46) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL3890174 0.86 PTGER1 (0.53) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3894953 0.86 PTGER1 (0.47) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3885366 0.86 PPARD (0.46) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3884238 0.86 PTGER1 (0.52) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3882124 0.85 FFAR4 (0.61) FFAR1FFAR4S1PR1ENPP2CTNNB1
SCHEMBL3882397 0.84 PTGER1 (0.44) FFAR1PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed