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Sugi Predict / Compounds / SCHEMBL7751208

SCHEMBL7751208

SCHEMBL7751208

CC(OC(=O)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 10/20 0.61
▸ SRD5A2 P31213 9/20 0.60
▸ LMNA P02545 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ HSD3B1 P14060 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ THPO P40225 1/20 0.60
▸ BLM P54132 1/20 0.60

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
SCHEMBL7751204 1.00 SRD5A1 (0.61) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7745364 0.83 SRD5A1 (0.71) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7745362 0.83 SRD5A1 (0.71) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL1108296 0.81 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7750305 0.81 SRD5A2 (0.59) SRD5A1SRD5A2
SCHEMBL7750311 0.81 SRD5A2 (0.59) SRD5A1SRD5A2
SCHEMBL7750027 0.81 SRD5A1 (0.58) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7750023 0.81 SRD5A1 (0.58) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8157426 0.79 SRD5A1 (0.76) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8157430 0.79 SRD5A1 (0.76) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649306-B1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO INC (US) 2001-01-10 — — EP claimed
EP-0649306-A4 ESTER DERIVATIVES OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 — — EP claimed
EP-0649306-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-04-26 — — EP claimed
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed
EP-0649306-B1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO INC (US) 2001-01-10 — — EP 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-5610162-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1997-03-11 — — US disclosed
EP-0649306-A4 ESTER DERIVATIVES OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 — — EP disclosed
EP-0649306-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-04-26 — — 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-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed