SCHEMBL6263252

SCHEMBL6263252

CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.73
CYP3A4 P08684 4/20 0.73
ALDH1A1 P00352 4/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
MAPT P10636 4/20 0.73
MAPK1 P28482 4/20 0.73
CYP2C9 P11712 2/20 0.73
TSHR P16473 2/20 0.73
HIF1A Q16665 2/20 0.73
ABCB11 O95342 2/20 0.73
SHBG P04278 2/20 0.73
SERPINA6 P08185 2/20 0.73
NR1I2 O75469 2/20 0.73
NR3C1 P04150 2/20 0.73
PGR P06401 2/20 0.73
NR3C2 P08235 2/20 0.73
CYP2C19 P33261 1/20 0.73
KDM4E B2RXH2 1/20 0.73
MEN1 O00255 1/20 0.73
SLC22A2 O15244 1/20 0.73

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
SCHEMBL6263255 1.00 LMNA (0.73) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL9402966 0.92 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL9402961 0.92 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL9402952 0.92 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8994186 0.90 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8994192 0.90 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8377385 0.88 LMNA (0.64) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8377389 0.88 LMNA (0.64) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL27814910 0.87 SRD5A2 (0.61) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL516592 0.86 LMNA (0.78) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005075497-A1 PROCESS FOR THE PREPARATION OF 17ß-SUBSTITUTED-3-OXO-4-AZA-5ALPHA-ANDROSTANE DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2005-08-18 WO disclosed
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-5760025-A ADMINISTERING TESTOSTERONE 5A-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-06-02 US disclosed
US-5756480-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1998-05-26 US disclosed
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed
US-5698720-A INTERMEDIATES FOR TESTOSTERONE 5-ALPHA-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0469548-B1 4-Amino-delta4-steroids and their use as 5alpha-reductase inhibitors MERRELL PHARMA INC (US) 1996-06-05 EP disclosed
EP-0469547-B1 4-Amino-delta4,6-steroids and their use as 5alpha-reductase inhibitors MERRELL PHARMA INC (US) 1996-05-15 EP disclosed
US-5436237-A Reductase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US disclosed
US-5318961-A Enzyme inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1994-06-07 US disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
US-5218110-A 4-amino-Δ4 -steroids and their use as 5α-reductase inhibitors MERRELL DOW PHARMACEUTICALS (US) 1993-06-08 US disclosed
US-5189032-A Blocking the formation of dihydroxytestosterone from testosterone MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
US-5130424-A Acne, skin disorders, scandular disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-14 US disclosed
US-5120840-A Treatment of acne, baldness, seborrhea and female hirsutism MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0469547-A2 4-Amino-delta4,6-steroids and their use as 5alpha-reductase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-02-05 EP disclosed