SCHEMBL30697463

SCHEMBL30697463

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.49
PTGDR Q13258 6/20 0.49
TBXA2R P21731 1/20 0.46
PTGER1 P34995 1/20 0.46
PTGFR P43088 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
CFTR P13569 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
DRD4 P21917 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MAPK8 P45983 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
SCHEMBL20541745 1.00 PTGER4 (0.49) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL29406596 0.89 PTGER4 (0.61) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL2111692 0.89 PTGER4 (0.61) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL20541799 0.86 PTGER4 (0.52) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL1748620 0.80 PTGER4 (0.62) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL30697459 0.77 PTGER4 (0.52) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL21481817 0.76 PTGER4 (0.52) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL20542165 0.76 PTGER4 (0.53) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL12900336 0.75 PTGER4 (0.45) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL3794815 0.74 PTGER4 (0.58) 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