SCHEMBL8641139

SCHEMBL8641139

CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.80
▸ CYP3A4 P08684 4/20 0.58
▸ SHBG P04278 2/20 0.57
▸ SERPINA6 P08185 1/20 0.57
▸ AR P10275 3/20 0.56
▸ LMNA P02545 3/20 0.54
▸ NR1I2 O75469 2/20 0.54
▸ NR3C1 P04150 2/20 0.54
▸ PGR P06401 2/20 0.54
▸ CYP17A1 P05093 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ABCC4 O15439 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ CHRM2 P08172 1/20 0.48

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
SCHEMBL8641143 1.00 CYP19A1 (0.80) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL9066081 0.89 SERPINA6 (0.72) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL10273391 0.89 SERPINA6 (0.72) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL9066088 0.89 SERPINA6 (0.72) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL8645662 0.88 CYP19A1 (0.63) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL9549867 0.88 AR (0.70) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL5708096 0.88 AR (0.70) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL8645665 0.88 CYP19A1 (0.63) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL5708095 0.88 AR (0.70) CYP19A1CYP3A4SHBGSERPINA6AR
SCHEMBL9467827 0.84 SERPINA6 (0.78) CYP19A1CYP3A4SHBGSERPINA6AR

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
US-5804576-A CANCER PREVENTIVE AGENTS, ANTI-OBESITY AGENTS, TREATMENT OF DIABETES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-09-08 — — US disclosed
US-5714481-A ADMINISTERING TO MAMMALIAN HOST A GLUCOSE-6-PHSOPHATE DEHYDROGENASE INHIBITOR, ANTICARCINOGENIC, ANTIOBASITY, ANTI-HYPERGLYCEMIC, ANTIAGING, ANTICHOLESTEROL AND ANTI-AUTOIMMUNE AGENT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-02-03 — — US disclosed
EP-0133995-B1 STEROIDS AND THERAPEUTIC COMPOSITIONS CONTAINING SAME RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-04-15 — — EP disclosed
US-5001119-A 16-substituted androstanes and 16-substituted androstenes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1991-03-19 — — US 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
EP-0133995-A2 Steroids and therapeutic compositions containing same RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1985-03-13 — — EP disclosed
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