SCHEMBL9541973

SCHEMBL9541973

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.65
AKR1B1 P15121 3/20 0.65
CYP19A1 P11511 2/20 0.65
OR51E2 Q9H255 1/20 0.65
SHBG P04278 3/20 0.64
GPBAR1 Q8TDU6 2/20 0.64
NR3C1 P04150 1/20 0.64
PGR P06401 1/20 0.64
SERPINA6 P08185 1/20 0.64
NR3C2 P08235 1/20 0.64
CYP3A4 P08684 1/20 0.64
AR P10275 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MGAM O43451 1/20 0.64
POLB P06746 1/20 0.62
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL1427282 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL27607786 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL4572602 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL27248784 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL1651202 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL24151978 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL19877200 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
SCHEMBL1962644 1.00 AKR1B10 (0.65) AKR1B10AKR1B1CYP19A1OR51E2SHBG
Propionic Acid SCHEMBL12694801 0.91 GPBAR1 (0.57) AKR1B10AKR1B1CYP19A1OR51E2SHBG
Stanolone SCHEMBL11325499 0.91 SHBG (0.82) AKR1B10AKR1B1CYP19A1OR51E2SHBG

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
WO-1993013122-A1 3-METHYLSULPHONYLHYDRAZONO AND 3-OXYIMINO STEROIDS, A METHOD OF PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
US-4071625-A 19-Oxygenated-5α-androstanes for the enhancement of libido RICHARDSON-MERRELL INC. (US) 1978-01-31 US disclosed
US-3941811-A Oxidation process ROUSSEL-UCLAF (FR) 1976-03-02 US disclosed