SCHEMBL14769657

SCHEMBL14769657

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 1/20 0.35
PRKCA P17252 1/20 0.34
CYP17A1 P05093 4/20 0.34
CYP19A1 P11511 4/20 0.34
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL15606795 0.88 PRKCA (0.42) NPSR1PRKCACYP17A1CYP19A1GAA
SCHEMBL19986500 0.88 EPHX2 (0.33) TSHRNPSR1EPHX2PRKCACYP17A1
SCHEMBL18133301 0.88 EPHX2 (0.35) TSHRNPSR1EPHX2PRKCACYP17A1
SCHEMBL6448541 0.88 EPHX2 (0.35) TSHRNPSR1EPHX2PRKCACYP17A1
SCHEMBL23559488 0.88 EPHX2 (0.35) TSHRNPSR1EPHX2PRKCACYP17A1
SCHEMBL7604359 0.86 CYP17A1 (0.38) TSHRNPSR1EPHX2PRKCACYP17A1
SCHEMBL18287694 0.85 NPSR1 (0.39) TSHRNPSR1EPHX2PRKCACYP17A1
SCHEMBL15606796 0.82 PRKCA (0.40) TSHRNPSR1EPHX2PRKCACYP17A1
SCHEMBL14670251 0.81 TSHR (0.36) TSHRNPSR1EPHX2PRKCACYP17A1
SCHEMBL17491025 0.80 ALDH1A1 (0.33) TSHRNPSR1EPHX2PRKCACYP17A1

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-20130065179-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-14 US disclosed