SCHEMBL9116613

SCHEMBL9116613

CC[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.60
▸ CYP3A4 P08684 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ PGR P06401 3/20 0.56
▸ AR P10275 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ SHBG P04278 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ ABCB11 O95342 2/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ SERPINA6 P08185 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ NR3C2 P08235 1/20 0.55
▸ TSHR P16473 1/20 0.51

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
SCHEMBL6301574 0.87 CYP19A1 (0.56) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL4013306 0.87 CYP19A1 (0.56) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL6231408 0.85 NR1I2 (0.42) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL11134362 0.84 CYP19A1 (0.54) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL10449146 0.83 CYP19A1 (0.52) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL6244897 0.83 SERPINA6 (0.54) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL13216466 0.82 CYP19A1 (0.66) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL11977689 0.82 CYP19A1 (0.66) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL922877 0.82 CYP19A1 (0.66) CYP19A1CYP3A4LMNAPGRAR
SCHEMBL19608861 0.82 CYP19A1 (0.66) CYP19A1CYP3A4LMNAPGRAR

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-0664811-A1 GESTAGENICALLY ACTIVE 19,11-BRIDGED 4-ESTRENES. SCHERING AG (DE) 1995-08-02 — — EP disclosed
WO-1994009025-A1 GESTAGENICALLY ACTIVE 19,11-BRIDGED 4-ESTRENES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 — — WO disclosed
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