SCHEMBL23879092

SCHEMBL23879092

O=C(NC1(C23CC(C(=O)O)(C2)C3)CC1)c1cccc2ccn(Cc3ccc(N4CCCC(O)C4)cn3)c12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGDR Q13258 1/20 0.35
PIN1 Q13526 1/20 0.34
MAOB P27338 1/20 0.34
HTR6 P50406 1/20 0.34
KIF18A Q8NI77 4/20 0.33
STAT6 P42226 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL29405732 1.00 TBXA2R (0.35) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276174 0.91 TBXA2R (0.34) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276149 0.87 TBXA2R (0.34) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276335 0.86 FLT1 (0.38) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276178 0.83 PTGER4 (0.38) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL28479847 0.81 MAOB (0.35) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276163 0.81 PTGER4 (0.39) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276143 0.79 PTGER4 (0.39) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276142 0.79 TBXA2R (0.37) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276145 0.79 PTGER4 (0.37) TBXA2RPTGER1PTGER4PTGFRPTGER3

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-3889134-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-10-06 EP disclosed
EP-3889134-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-10-06 EP disclosed