SCHEMBL8525513

SCHEMBL8525513

COC(=O)CCCCCCCC(=O)NCC1CC[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
VDR P11473 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MAPT P10636 1/20 0.33
NR1H3 Q13133 1/20 0.33
AR P10275 1/20 0.32
SRD5A2 P31213 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL8525253 0.89 SRD5A2 (0.32) ARSRD5A2
SCHEMBL8524938 0.89 SRD5A2 (0.32) ARSRD5A2
SCHEMBL8071949 0.81 G6PD (0.41)
SCHEMBL8063891 0.80 SRD5A2 (0.36) SRD5A2
SCHEMBL9239824 0.80 G6PD (0.37) SRD5A2
SCHEMBL8071938 0.80 SRD5A2 (0.37) LMNACYP2C9SRD5A2
SCHEMBL8524732 0.79 HSD17B7 (0.51)
SCHEMBL8525512 0.79 HSD17B7 (0.51)
SCHEMBL8524735 0.79 HSD17B7 (0.51)
SCHEMBL9113667 0.77 SRD5A1 (0.42) MAPTARSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 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
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP disclosed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS 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-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-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed