SCHEMBL9948099

SCHEMBL9948099

C=C[C@H]1CC2=CC(=O)C(=C)C[C@@H]2[C@H]2CC[C@]3(C)CCC[C@H]3[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ PGR P06401 4/20 0.42
▸ MBOAT4 Q96T53 2/20 0.35
▸ CYP19A1 P11511 6/20 0.34
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ STS P08842 1/20 0.30

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
SCHEMBL9948891 1.00 AR (0.43) ARNR3C2PGRMBOAT4CYP19A1
SCHEMBL3357144 0.79 CYP19A1 (0.44) MBOAT4CYP19A1STS
SCHEMBL3354601 0.70 AR (0.38) ARNR3C2PGRMBOAT4CYP19A1
SCHEMBL11795958 0.68 AR (0.64) ARNR3C2PGRCYP19A1
SCHEMBL9948618 0.67 PGR (0.41) ARNR3C2PGRMBOAT4CYP19A1
SCHEMBL11798667 0.66 CYP19A1 (0.47) PGRMBOAT4CYP19A1
SCHEMBL6387112 0.66 AR (0.44) ARNR3C2PGRMBOAT4CYP19A1
SCHEMBL6244949 0.66 AR (0.49) ARNR3C2PGRMBOAT4CYP19A1
SCHEMBL6535044 0.66 AR (0.70) ARCYP19A1
SCHEMBL13372823 0.65 AR (0.59) ARNR3C2PGRCYP19A1

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-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 — — US disclosed
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