SCHEMBL13808489

SCHEMBL13808489

BCc1ccc(C2(C)OCC(C)(C)CO2)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 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
SCHEMBL3996025 0.81 TRPA1 (0.32) KCNH2
SCHEMBL3995603 0.75 TAAR1 (0.43) —
SCHEMBL9140611 0.71 SLC6A3 (0.33) —
SCHEMBL994874 0.70 — —
SCHEMBL10035308 0.67 TSHR (0.36) —
SCHEMBL11737432 0.66 PGR (0.33) —
SCHEMBL9050671 0.65 NOS3 (0.37) —
SCHEMBL9672993 0.65 TSHR (0.36) —
SCHEMBL23295278 0.65 MAOA (0.31) —
SCHEMBL9876519 0.64 POLB (0.46) —

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
WO-2009071252-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-11 — — WO disclosed
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