SCHEMBL8075540

SCHEMBL8075540

CCCCCCOC1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.57
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
SRD5A2 P31213 7/20 0.41
CYP19A1 P11511 1/20 0.40
HSD17B7 P56937 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL8075542 1.00 SRD5A1 (0.57) SRD5A1CYP2C19LMNASRD5A2CYP19A1
SCHEMBL8065395 0.83 SRD5A1 (0.60) SRD5A1CYP2C19LMNASRD5A2CYP19A1
SCHEMBL8065397 0.83 SRD5A1 (0.60) SRD5A1CYP2C19LMNASRD5A2CYP19A1
SCHEMBL7609968 0.81 SRD5A1 (0.63) SRD5A1CYP2C19LMNASRD5A2CYP19A1
SCHEMBL7609974 0.81 SRD5A1 (0.63) SRD5A1CYP2C19LMNASRD5A2CYP19A1
SCHEMBL7611459 0.80 SRD5A1 (0.63) SRD5A1CYP2C19LMNASRD5A2CYP19A1
SCHEMBL7611466 0.80 SRD5A1 (0.63) SRD5A1CYP2C19LMNASRD5A2CYP19A1
SCHEMBL7619286 0.80 SRD5A1 (0.61) SRD5A1CYP2C19LMNACYP19A1
SCHEMBL7619280 0.80 SRD5A1 (0.61) SRD5A1CYP2C19LMNACYP19A1
SCHEMBL7613573 0.79 SRD5A1 (0.67) SRD5A1LMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP claimed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US claimed
EP-0641204-A4 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP claimed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP claimed
WO-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP disclosed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US disclosed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO disclosed
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US disclosed
EP-0641204-A4 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed