SCHEMBL8003079

SCHEMBL8003079

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4SC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 14/20 0.69
SRD5A2 P31213 14/20 0.69
FNTA P49354 2/20 0.51
FNTB P49356 2/20 0.51
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRA4 P48169 1/20 0.46
NPC1L1 Q9UHC9 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7994159 0.86 SRD5A1 (0.49) SRD5A1SRD5A2FNTAFNTB
SCHEMBL8005881 0.86 SRD5A1 (0.49) SRD5A1SRD5A2FNTAFNTB
SCHEMBL7993713 0.83 SRD5A1 (0.69) SRD5A1SRD5A2FNTAFNTBGABRA1
SCHEMBL8009341 0.83 SRD5A1 (0.48) SRD5A1SRD5A2FNTAFNTBGABRA1
SCHEMBL8009346 0.83 SRD5A1 (0.48) SRD5A1SRD5A2FNTAFNTBGABRA1
SCHEMBL8316920 0.83 SRD5A1 (0.47) SRD5A1SRD5A2FNTAFNTB
SCHEMBL7993711 0.83 SRD5A1 (0.47) SRD5A1SRD5A2FNTAFNTB
SCHEMBL8931547 0.81 SRD5A2 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL916887 0.81 SRD5A2 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL8587150 0.76 SRD5A1 (0.89) SRD5A1SRD5A2FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP claimed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP disclosed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US disclosed
US-5932559-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1999-08-03 US disclosed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US disclosed
US-5756480-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015305-A1 TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO., INC. (US) 1997-05-01 WO disclosed