SCHEMBL22845700

SCHEMBL22845700

CC(C)(Cl)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP19A1 P11511 3/20 0.41
CYP17A1 P05093 2/20 0.41
EPHX2 P34913 2/20 0.41
NAAA Q02083 1/20 0.36
CA2 P00918 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
SCHEMBL12345921 0.88 NPSR1 (0.52) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL685847 0.85 TSHR (0.53) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL685366 0.85 TSHR (0.53) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL26011995 0.82 TSHR (0.51) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL12412376 0.82 NPSR1 (0.51) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL685848 0.82 TSHR (0.51) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL11991224 0.82 TSHR (0.48) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL26061863 0.82 TSHR (0.51) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL14701795 0.81 TSHR (0.50) TSHRNPSR1CYP19A1CYP17A1EPHX2
SCHEMBL14411655 0.81 TSHR (0.47) TSHRNPSR1CYP19A1CYP17A1EPHX2

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-20200407477-A1 POLYMER, POSITIVE RESIST COMPOSITION, AND METHOD OF FORMING RESIST PATTERN ZEON CORPORATION (JP) 2020-12-31 US disclosed