SCHEMBL8931575

SCHEMBL8931575

CC(C)SCCCCCCCCC(=O)OC(C)[C@H]1CC[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 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
SRD5A2 P31213 3/20 0.34
SRD5A1 P18405 2/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
VDR P11473 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL8722384 0.92 FNTA (0.35) FNTAFNTBGPBAR1SRD5A2SRD5A1
SCHEMBL9114171 0.88 FAAH (0.38) FNTAFNTBGPBAR1SRD5A2SRD5A1
SCHEMBL8725587 0.82 NR1H4 (0.36) FNTAFNTBGPBAR1SRD5A2CYP2C9
SCHEMBL8524938 0.82 SRD5A2 (0.32) FNTAFNTBSRD5A2
SCHEMBL8525253 0.82 SRD5A2 (0.32) FNTAFNTBSRD5A2
SCHEMBL9113840 0.81 GPBAR1 (0.36) FNTAFNTBGPBAR1SRD5A2
SCHEMBL9113437 0.80 SRD5A2 (0.36) FNTAFNTBGPBAR1SRD5A2
SCHEMBL7749933 0.80 SRD5A1 (0.56) SRD5A2SRD5A1
SCHEMBL7749938 0.80 SRD5A1 (0.56) SRD5A2SRD5A1
SCHEMBL7750265 0.80 SRD5A1 (0.56) SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO claimed
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-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-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed