SCHEMBL11414635

SCHEMBL11414635

CC(C)C(=O)OC1CCC(C2CCC(C#N)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 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
SCHEMBL11410110 1.00 CYP19A1 (0.31) CYP19A1
SCHEMBL11410395 0.81 DPP4 (0.36) —
SCHEMBL754296 0.80 — —
SCHEMBL11404161 0.77 NAAA (0.36) CYP19A1
SCHEMBL10620127 0.74 DPP4 (0.36) —
SCHEMBL11410127 0.74 NAAA (0.44) CYP19A1
SCHEMBL15692146 0.73 GRM1 (0.32) —
SCHEMBL11416230 0.73 — —
SCHEMBL1626651 0.72 CYP19A1 (0.36) CYP19A1
SCHEMBL9240569 0.72 ALDH1A1 (0.41) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181625-A CARBONITRILES, DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-01-01 — — US claimed
US-4181625-A CARBONITRILES, DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-01-01 — — US disclosed
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