SCHEMBL30740359

SCHEMBL30740359

Cn1cc(C(=O)O)c2c(Oc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
PPARG P37231 2/20 0.40
HTT P42858 1/20 0.39
PTGER3 P43115 7/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC4 P56524 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 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
SCHEMBL21225736 1.00 SCN9A (0.41) SCN9APPARGHTTPTGER3ALDH1A1
SCHEMBL21232718 0.89 SCN9A (0.41) SCN9AHTTPTGER3KDM4E
SCHEMBL21225779 0.82 PTGER4 (0.50)
SCHEMBL21225778 0.82 PTGER4 (0.50)
SCHEMBL21225846 0.80 PTGER4 (0.49) PTGER3
SCHEMBL29225608 0.80 SLC6A9 (0.44) PTGER3
SCHEMBL21232942 0.78 PDE2A (0.43) PTGER3
SCHEMBL21232950 0.77 KCNQ3 (0.42) PPARGALDH1A1HPGD
SCHEMBL21232949 0.77 KCNQ3 (0.42) PPARGALDH1A1HPGD
SCHEMBL17908066 0.76 ABCG2 (0.50) HTTALDH1A1KDM4EHPGDHSD17B10

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-111936138-B Heterobicyclic compounds as EP4 receptor antagonists 深圳市原力生命科学有限公司 2024-03-08 CN disclosed