SCHEMBL4151340

SCHEMBL4151340

Cc1ccc(N2CC[NH+]([O-])CC2Cc2cc(CC(=O)O)ccc2OCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.49
PPARG P37231 1/20 0.46
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
PTGER1 P34995 7/20 0.39
LTK P29376 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
HPGD P15428 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 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
SCHEMBL3933952 0.73 PTGDR2 (0.58)
SCHEMBL14367479 0.71 KMT2A (0.43) S1PR1S1PR5PTGER1
SCHEMBL3936575 0.68 KMT2A (0.49) S1PR1S1PR5
SCHEMBL3937820 0.65 PTGDR2 (0.58)
SCHEMBL3939170 0.64 PTGDR2 (0.61)
SCHEMBL1584485 0.63 FFAR1 (1.00) FFAR1PPARGS1PR1S1PR5LTK
SCHEMBL1604202 0.63 FFAR1 (1.00) FFAR1PPARGS1PR1S1PR5LTK
SCHEMBL3931978 0.61 MEN1 (0.54)
SCHEMBL3937365 0.61 PTGDR2 (0.53)
SCHEMBL12708019 0.61 FFAR1 (0.83) FFAR1PPARGS1PR1S1PR5LTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed