SCHEMBL4448095

SCHEMBL4448095

C[C@]12CCCCC1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(CO)CC[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.79
CYP1B1 Q16678 1/20 0.58
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
SERPINA6 P08185 1/20 0.55
GUSB P08236 1/20 0.55
CYP3A4 P08684 1/20 0.55
G6PD P11413 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL1560756 0.89 CYP19A1 (0.77) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL8532535 0.88 CYP19A1 (0.75) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL4243919 0.88 CYP19A1 (0.75) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL8639067 0.88 CYP19A1 (0.75) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL11531541 0.88 CYP19A1 (1.00) CYP19A1
SCHEMBL11531546 0.88 CYP19A1 (1.00) CYP19A1
SCHEMBL10605205 0.87 CYP19A1 (0.73) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL13173443 0.86 CYP19A1 (1.00) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL1552217 0.86 CYP19A1 (1.00) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL18784972 0.86 CYP19A1 (1.00) CYP19A1CYP1B1MEN1LMNASHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115558695-A Enzymatic preparation method of 3 beta-hydroxy-androst-5-ene-17-one 上海格苓凯生物科技有限公司 2023-01-03 CN claimed
CN-112852767-B Carbonyl reductase mutant and application thereof in catalytic synthesis of 17 beta-hydroxy steroid compound 中国科学院天津工业生物技术研究所 2022-04-05 CN claimed
EP-2999708-A2 PROCESSES FOR THE PREPARATION OF DEHYDROEPIANDROSTERONE AND ITS INTERMEDIATES Dr. Reddy's Laboratories Ltd. (IN) 2016-03-30 EP claimed
WO-2014108808-A2 PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF TRAUMA-INDUCED NEUROPATHOLOGY AND NEURODEGENERATION HENRY JAMES LORNE (CA) 2014-07-17 WO claimed
EP-1420769-A2 LIPID PROFILE MODULATION WITH STEROIDS THE UNIVERSITY OF EDINBURGH (GB) 2004-05-26 EP claimed
WO-2002076435-A2 LIPID PROFILE MODULATION WITH STEROIDS THE UNIVERSITY OF EDINBURGH (GB) 2002-10-03 WO claimed
EP-0721461-A1 SYNTHESIS OF 17-(3-PYRIDYL) STEROIDS BTG INTERNATIONAL LIMITED (GB) 1996-07-17 EP claimed
WO-1995009178-A1 SYNTHESIS OF 17-(3-PYRIDYL) STEROIDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-04-06 WO claimed
JP-63267722-A None JP disclosed
CN-115558695-A Enzymatic preparation method of 3 beta-hydroxy-androst-5-ene-17-one 上海格苓凯生物科技有限公司 2023-01-03 CN disclosed
CN-109310727-B Conditionally active heterodimeric polypeptides and methods of use thereof 加利福尼亚大学董事会 2022-09-27 CN disclosed
CN-112852767-B Carbonyl reductase mutant and application thereof in catalytic synthesis of 17 beta-hydroxy steroid compound 中国科学院天津工业生物技术研究所 2022-04-05 CN disclosed
EP-2999708-A2 PROCESSES FOR THE PREPARATION OF DEHYDROEPIANDROSTERONE AND ITS INTERMEDIATES Dr. Reddy's Laboratories Ltd. (IN) 2016-03-30 EP disclosed
WO-2014108808-A2 PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF TRAUMA-INDUCED NEUROPATHOLOGY AND NEURODEGENERATION HENRY JAMES LORNE (CA) 2014-07-17 WO disclosed
EP-0133995-B1 STEROIDS AND THERAPEUTIC COMPOSITIONS CONTAINING SAME RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-04-15 EP disclosed
EP-0423842-A2 Steroids and therapeutic compositions containing same Research Corporation (US) 1991-04-24 EP disclosed
US-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 US disclosed
JP-S63267722-A ANTI-OBESITY AGENT DAIICHI YAKUHIN SANGYO KK 1988-11-04 JP disclosed
EP-0246650-A1 Steroids useful as anti-cancer and anti-obesity agents, a therapeutic composition containing them and use thereof for the preparation of a therapeutic composition RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1987-11-25 EP disclosed
EP-0133995-A2 Steroids and therapeutic compositions containing same RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1985-03-13 EP disclosed