SCHEMBL3933705

SCHEMBL3933705

Cc1cc(CC(=O)O)ccc1OCCC(C)C.O=S1(=O)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ESR1 P03372 1/20 0.41
KDM1A O60341 1/20 0.39
CXCR3 P49682 5/20 0.37
FFAR4 Q5NUL3 5/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
GAA P10253 1/20 0.36
FFAR1 O14842 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL3928669 0.84 RXRA (0.44) FFAR4PTGDR2SLC22A12GAAFFAR1
SCHEMBL3932776 0.84 PTGDR2 (0.38) KDM1AFFAR4PTGDR2SLC22A12GAA
SCHEMBL3933704 0.76 NPSR1 (0.47) THRATHRBCXCR3PTGDR2
SCHEMBL3937875 0.74 NPSR1 (0.48) THRATHRBCXCR3PTGDR2GAA
SCHEMBL17316865 0.71 FFAR4 (0.51) KDM1AFFAR4SLC22A12GAAFFAR1
SCHEMBL17316386 0.70 S1PR1 (0.47) KDM1ACXCR3FFAR4SLC22A12GAA
SCHEMBL3901613 0.67 MAPK1 (0.66) THRATHRBGAA
SCHEMBL969758 0.66 GAA (0.70) FFAR4SLC22A12GAA
SCHEMBL30094539 0.66 GAA (0.70) FFAR4SLC22A12GAA
SCHEMBL2793815 0.66 FFAR4 (0.74) FFAR4SLC22A12FFAR1RXRARXRB

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