SCHEMBL9616799

SCHEMBL9616799

CC[C@@]1(C)CC[C@@H]2[C@H]3CC(OC(C)=O)C(=O)C[C@@H]3C[C@@H](C)[C@H]2C1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.35
CYP19A1 P11511 13/20 0.34
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
OPRK1 P41145 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
SCHEMBL9616583 0.75 CYP19A1 (0.36) CYP19A1
SCHEMBL9616582 0.69 AR (0.36) SHBGCYP3A4TDP1
SCHEMBL9700995 0.68 CYP19A1 (0.34) CYP19A1
SCHEMBL7997769 0.66 GRIN1 (0.47) SHBGCYP19A1
SCHEMBL9616803 0.65 PGR (0.40) SHBGCYP19A1CYP3A4CYP2C19
SCHEMBL9136957 0.62 SHBG (0.52) SHBG
SCHEMBL9700988 0.61
SCHEMBL9616801 0.61 PGR (0.36) SHBGCYP19A1CYP3A4CYP2C19
SCHEMBL28600625 0.56 SHBG (0.44) SHBGCYP19A1CYP3A4
SCHEMBL29014610 0.56 TSHR (0.40) CYP19A1

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
EP-0500899-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS. STANFORD RES INST INT (US) 1992-09-02 EP disclosed
WO-1992004309-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS SRI INTERNATIONAL (US) 1992-03-19 WO disclosed