SCHEMBL30916166

SCHEMBL30916166

O=C(O)c1ccccc1C1(NC(=O)c2csc3ccn(Cc4ccc(C(F)(F)F)cc4)c23)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.56
PTGDR Q13258 4/20 0.56
PTGER2 P43116 2/20 0.56
TBXA2R P21731 1/20 0.56
PTGER1 P34995 1/20 0.56
PTGFR P43088 1/20 0.56
PTGER3 P43115 1/20 0.56
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FABP4 P15090 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
POLB P06746 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
SCHEMBL1952882 0.85 PTGER4 (0.71) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL30916165 0.85 PTGER4 (0.53) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL1845535 0.81 KDM4E (0.45) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL23116462 0.78 PTGER4 (0.54) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL31366933 0.76 PTGER4 (0.51) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL13492636 0.75 MMP13 (0.51) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL196278 0.74 PTGER4 (0.51) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL1844421 0.74 PTGER4 (0.48) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL30557705 0.74 PTGER4 (0.40) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL26034568 0.73 DRD4 (0.44) 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
CN-111936502-B Heterobicyclic carboxylic acids and salts thereof 深圳市原力生命科学有限公司 2024-05-31 CN disclosed