SCHEMBL16305070

SCHEMBL16305070

CC(C)(O)c1nc(Cl)n(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NC1(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 19/20 0.59
PTGDR Q13258 2/20 0.55
PTGER2 P43116 2/20 0.54
TBXA2R P21731 1/20 0.54
PTGER1 P34995 1/20 0.54
PTGFR P43088 1/20 0.54
PTGER3 P43115 1/20 0.54
PDE2A O00408 1/20 0.41

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
SCHEMBL17690498 0.88 PTGER4 (0.55) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL16305134 0.82 PTGER4 (0.53) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL20113594 0.81 PTGER4 (0.55) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17684521 0.80 PTGER4 (0.46) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17740234 0.78 PTGER4 (0.44) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL17684841 0.76 PTGER4 (0.46) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL16304455 0.75 PTGER4 (0.46) PTGER4
SCHEMBL16304052 0.73 PTGER4 (0.42) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL196261 0.72 PTGER4 (0.68) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL18740163 0.72 PTGER4 (0.56) PTGER4PTGDRPTGER2TBXA2RPTGER1

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
WO-2014200075-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT 科研製薬株式会社 (JP) 2014-12-18 WO disclosed