SCHEMBL30697459

SCHEMBL30697459

[2H]C(c1ccc(C(F)(F)F)cc1)n1ccc2cccc(C(=O)O)c21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.52
PTGDR Q13258 5/20 0.52
TBXA2R P21731 1/20 0.52
PTGER1 P34995 1/20 0.52
PTGFR P43088 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
FABP4 P15090 4/20 0.48
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
SRD5A2 P31213 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL20541799 0.90 PTGER4 (0.52) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL2111125 0.88 PTGER4 (0.65) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL29518220 0.88 PTGER4 (0.65) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL3794814 0.80 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL12000764 0.78 PTGER4 (0.66) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL20541745 0.77 PTGER4 (0.49) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL30697463 0.77 PTGER4 (0.49) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL23890365 0.77 KDM4E (0.64) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL2111692 0.74 PTGER4 (0.61) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL29406596 0.74 PTGER4 (0.61) PTGER4PTGDRTBXA2RPTGER1PTGFR

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-110891935-B Bicyclic compounds and their use in cancer treatment 泰普斯特医疗公司 2023-12-01 CN disclosed