SCHEMBL6387112

SCHEMBL6387112

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.44
▸ PGR P06401 5/20 0.38
▸ NR3C2 P08235 2/20 0.38
▸ CYP19A1 P11511 3/20 0.35
▸ MBOAT4 Q96T53 2/20 0.34
▸ SHBG P04278 2/20 0.33
▸ AKR1B10 O60218 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
SCHEMBL9543834 0.81 CYP19A1 (0.44) PGRCYP19A1SHBG
SCHEMBL11795958 0.80 AR (0.64) ARPGRNR3C2CYP19A1SHBG
SCHEMBL6244949 0.79 AR (0.49) ARPGRNR3C2CYP19A1MBOAT4
SCHEMBL5152177 0.76 AR (0.43) ARPGRNR3C2CYP19A1MBOAT4
SCHEMBL6244946 0.75 AR (0.47) ARPGRNR3C2CYP19A1MBOAT4
SCHEMBL11795639 0.74 AR (0.40) ARPGRNR3C2CYP19A1MBOAT4
SCHEMBL7887041 0.73 AR (0.41) ARPGRNR3C2CYP19A1MBOAT4
SCHEMBL7701342 0.73 AR (0.39) ARPGRNR3C2CYP19A1MBOAT4
SCHEMBL23202655 0.69 AR (0.54) ARPGRNR3C2CYP19A1SHBG
SCHEMBL7703167 0.69 AR (0.54) ARPGRNR3C2CYP19A1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523568-A2 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS Schering Aktiengesellschaft (DE) 2005-04-20 — — EP disclosed
WO-2004011663-A9 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS SCHERING AG (DE) 2004-05-06 — — WO disclosed
WO-2004011663-A2 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 — — WO disclosed
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