SCHEMBL7619286

SCHEMBL7619286

CC(=O)OC1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.61
CYP19A1 P11511 6/20 0.48
CYP2C19 P33261 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 3/20 0.45
LMNA P02545 2/20 0.45
NR1I2 O75469 1/20 0.45
NR3C1 P04150 1/20 0.45
CYP17A1 P05093 1/20 0.45
PGR P06401 1/20 0.45
AR P10275 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
OPRK1 P41145 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
BRCA1 P38398 1/20 0.44

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
SCHEMBL7619280 1.00 SRD5A1 (0.61) SRD5A1CYP19A1CYP2C19MEN1KMT2A
SCHEMBL7609968 0.85 SRD5A1 (0.63) SRD5A1CYP19A1CYP2C19CYP3A4LMNA
SCHEMBL7609974 0.85 SRD5A1 (0.63) SRD5A1CYP19A1CYP2C19CYP3A4LMNA
SCHEMBL29059721 0.84 SRD5A1 (0.64) SRD5A1CYP2C19MEN1KMT2ATDP1
SCHEMBL7611466 0.84 SRD5A1 (0.63) SRD5A1CYP19A1CYP2C19CYP3A4LMNA
SCHEMBL7611459 0.84 SRD5A1 (0.63) SRD5A1CYP19A1CYP2C19CYP3A4LMNA
SCHEMBL7613570 0.83 SRD5A1 (0.67) SRD5A1CYP19A1CYP3A4LMNANR3C1
SCHEMBL7613573 0.83 SRD5A1 (0.67) SRD5A1CYP19A1CYP3A4LMNANR3C1
SCHEMBL9022734 0.82 SRD5A2 (0.53) SRD5A1CYP19A1CYP2C19CYP3A4LMNA
SCHEMBL11416876 0.82 SRD5A1 (0.64) SRD5A1CYP2C19LMNA

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 4 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-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