SCHEMBL7613573

SCHEMBL7613573

CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.67
CYP19A1 P11511 6/20 0.63
AR P10275 4/20 0.57
ESR1 P03372 2/20 0.57
ESR2 Q92731 2/20 0.57
SHBG P04278 3/20 0.54
SERPINA6 P08185 3/20 0.54
LMNA P02545 3/20 0.52
HSD17B10 Q99714 3/20 0.52
NR3C1 P04150 2/20 0.52
PGR P06401 2/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
SNCA P37840 2/20 0.52
CACNA1C Q13936 2/20 0.52
CYP51A1 Q16850 2/20 0.52
GPBAR1 Q8TDU6 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL7613570 1.00 SRD5A1 (0.67) SRD5A1CYP19A1ARESR1ESR2
SCHEMBL11416876 0.85 SRD5A1 (0.64) SRD5A1SHBGSERPINA6LMNA
SCHEMBL5218487 0.85 SRD5A1 (0.64) SRD5A1SHBGSERPINA6LMNA
SCHEMBL9022075 0.85 SRD5A1 (0.64) SRD5A1SHBGSERPINA6LMNA
SCHEMBL29059721 0.85 SRD5A1 (0.64) SRD5A1ARSHBGSERPINA6LMNA
SCHEMBL9022079 0.85 SRD5A1 (0.64) SRD5A1SHBGSERPINA6LMNA
SCHEMBL18886676 0.83 SRD5A1 (0.51) SRD5A1CYP19A1ARESR1ESR2
SCHEMBL22367748 0.83 SRD5A1 (0.51) SRD5A1CYP19A1ARESR1ESR2
SCHEMBL18927095 0.83 SRD5A1 (0.51) SRD5A1CYP19A1ARESR1ESR2
SCHEMBL7619286 0.83 SRD5A1 (0.61) SRD5A1CYP19A1ARLMNANR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880540-B1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE AVENTIS PHARMA INC (US) 2002-06-12 EP disclosed
US-6365597-B1 FOR THERAPY OF ANDROGEN AND ESTROGEN MEDIATED DISORDERS, INCLUDING BENIGN PROSTATIC HYPERPLASIA, ANDROGEN MEDIATED PROSTATE CANCER, ESTROGEN MEDIATED BREAST CANCER AND ACNE AVENTIS PHARMACEUTICALS INC. 2002-04-02 US disclosed
EP-0650495-B1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC (CA) 2000-11-08 EP disclosed
US-6015806-A TOPICAL USE IN THE TREATMENT OF ANDROGEN-DEPENDENT DISEASES ASSOCIATED WITH THE SKIN. ENDORECHERCHE (CA) 2000-01-18 US disclosed
EP-0880540-A1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE HOECHST MARION ROUSSEL, INC. (US) 1998-12-02 EP disclosed
WO-1997030069-A1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE HOECHST MARION ROUSSEL, INC. (US) 1997-08-21 WO disclosed
US-5494914-A USEFUL FOR TREATMENT OF DISEASES WHOSE PROGRESS IS AIDED BY ACTIVATION OF ANDROGEN RECEPTORS ENDORECHERCHE (CA) 1996-02-27 US disclosed
EP-0650495-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1995-05-03 EP disclosed
EP-0641211-A1 INHIBITORS OF TESTOSTERONE 5$g(a)-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1995-03-08 EP disclosed
WO-1994026767-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1994-11-24 WO disclosed
WO-1993023053-A1 INHIBITORS OF TESTOSTERONE 5α-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1993-11-25 WO disclosed