SCHEMBL5699657

SCHEMBL5699657

CC(C)(C)NC(=O)C1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.68
SRD5A1 P18405 2/20 0.68
AR P10275 1/20 0.68
LMNA P02545 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
ABCC4 O15439 1/20 0.66
ABCB11 O95342 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CHRM1 P11229 1/20 0.66
HSD3B1 P14060 1/20 0.66
NFKB1 P19838 1/20 0.66
MAPK1 P28482 1/20 0.66
THPO P40225 1/20 0.66
BLM P54132 1/20 0.66

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
SCHEMBL14506163 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL4019993 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL5699698 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL26155447 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL4019990 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9215708 0.92 SRD5A2 (0.64) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9215700 0.92 SRD5A2 (0.64) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9562169 0.91 SRD5A2 (0.65) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9562162 0.91 SRD5A2 (0.65) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL10485635 0.91 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504021-B1 PROCESS FOR DEHYDROGENATION OF AZAANDROSTANE COMPOUNDS RICHTER GEDEON VEGYESZET (HU) 2006-07-12 EP disclosed
EP-1504021-A1 PROCESS FOR DEHYDROGENATION OF AZAANDROSTANE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2005-02-09 EP disclosed
US-6762302-B2 DEPROTONATION OF AZASTEROIDS USING CULTURES OF BIOCATALYSTS, OXIDOREDUCTASE ENZYMES, STABILIZERS, COMPLEXING AGENTS AND CHARGE TRANSFER COMPOUNDS, THEN INCUBATING GEDEON RICHTER, LTD. (HU) 2004-07-13 US disclosed
WO-2003095472-A1 PROCESS FOR DEHYDROGENATION OF AZAANDROSTANE COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-11-20 WO disclosed
US-20030215902-A1 Process for dehydrogenation of azaandros tane compounds RICHTER GEDEON VEGYESZETI GYAR RT. 2003-11-20 US disclosed
EP-0922770-B1 A microbiological process for the transformation of 17beta-carboxy substituted 3-oxo-4-azasteroids and the use of such products as inhibitors of the enzyme 5alpha-reductase POLI IND CHIMICA SPA (IT) 2002-09-18 EP disclosed
EP-0786011-B1 Microbiological process for the preparation of 1-unsaturated 17-beta-carboxysubstituted 3-oxo-4-azaandrostan-3-ones POLI IND CHIMICA SPA (IT) 2000-04-05 EP disclosed
EP-0922770-A2 A microbiological process for the transformation of 17beta-carboxy substituted 3-oxo-4-azasteroids and the use of such products as inhibitors of the enzyme 5alpha-reductase POLI INDUSTRIA CHIMICA S.p.A. (IT) 1999-06-16 EP disclosed
EP-0786011-A1 A MICROBIOLOGICAL PROCESS FOR THE PREPARATION OF 17BETA-CARBOXY SUBSTITUTED 3-OXO-4-AZASTEROIDS AND THE USE OF SUCH PRODUCTS AS INHIBITORS OF THE ENZYME 5ALPHA-REDUCTASE POLI INDUSTRIA CHIMICA S.p.A. (IT) 1997-07-30 EP disclosed
WO-1996012034-A1 A MICROBIOLOGICAL PROCESS FOR THE PREPARATION OF 17BETA-CARBOXY SUBSTITUTED 3-OXO-4-AZASTEROIDS AND THE USE OF SUCH PRODUCTS AS INHIBITORS OF THE ENZYME 5ALPHA-REDUCTASE POLI INDUSTRIA CHIMICA S.P.A. (IT) 1996-04-25 WO disclosed