SCHEMBL19986500

SCHEMBL19986500

O=C1C2CC3CC1CC(C(=O)OC(C(F)F)C(F)(F)S(=O)(=O)O)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
CYP17A1 P05093 4/20 0.33
CYP19A1 P11511 4/20 0.33
PRKCA P17252 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL14802870 0.89 PRKCA (0.40) CYP17A1CYP19A1PRKCANPSR1
SCHEMBL14769657 0.88 TSHR (0.36) EPHX2CYP17A1CYP19A1PRKCATSHR
SCHEMBL11991786 0.87 EPHX2 (0.38) EPHX2CYP17A1CYP19A1PRKCATSHR
SCHEMBL23559488 0.85 EPHX2 (0.35) EPHX2CYP17A1CYP19A1PRKCATSHR
SCHEMBL18133301 0.85 EPHX2 (0.35) EPHX2CYP17A1CYP19A1PRKCATSHR
SCHEMBL6448541 0.85 EPHX2 (0.35) EPHX2CYP17A1CYP19A1PRKCATSHR
SCHEMBL7604359 0.84 CYP17A1 (0.38) EPHX2CYP17A1CYP19A1PRKCATSHR
SCHEMBL15606796 0.80 PRKCA (0.40) EPHX2CYP17A1CYP19A1PRKCATSHR
SCHEMBL14670251 0.79 TSHR (0.36) EPHX2CYP17A1CYP19A1PRKCATSHR
SCHEMBL12912845 0.79 ALDH1A1 (0.36) EPHX2CYP17A1CYP19A1PRKCATSHR

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
US-20180081266-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-22 US disclosed