SCHEMBL4013302

SCHEMBL4013302

C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC(O)[C@@H]3[C@H]1CC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.44
▸ SHBG P04278 3/20 0.44
▸ SERPINA6 P08185 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MBOAT4 Q96T53 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ABCB11 O95342 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL9948621 0.88 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6301566 0.86 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL3356884 0.86 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9947825 0.84 CYP19A1 (0.42) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9948717 0.83 CYP19A1 (0.41) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6244889 0.83 CYP19A1 (0.39) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL10705595 0.82 SHBG (0.41) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6832271 0.81 CYP19A1 (0.63) CYP19A1SHBGSERPINA6ALDH1A1LMNA
SCHEMBL8083229 0.81 CYP19A1 (0.63) CYP19A1SHBGSERPINA6ALDH1A1LMNA
SCHEMBL9948095 0.81 CYP19A1 (0.39) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083270-A1 15,16-METHYLENE-STEROID-17,17-LACTOL DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO claimed
WO-2020061584-A1 TASTE-MASKED DOSAGE FORMS MSB HOLDINGS, INC. (US) 2020-03-26 — — WO disclosed
US-20080075772-A1 PHARMACEUTICAL COMPOSITIONS HAVING NOVEL SCORING PATTERNS AND METHODS OF USING THOSE COMPOSITIONS ACCU-BREAK TECHNOLOGIES, INC. 2008-03-27 — — US disclosed
EP-1379253-A1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA,11BETA-DIMETHYL-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-01-14 — — EP disclosed
WO-2003045398-A1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA, 11BETA-DIMETHY-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-05 — — WO disclosed
WO-1993025569-A1 OESTRADIOL PRODRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-12-23 — — WO disclosed
EP-0113812-B1 PROCESS FOR THE PREPARATION OF 17-ALPHA-BROMOETHYNYL AND 17-ALPHA-IODOETHYNYL-17-BETA-HYDROXY STEROIDS, AND 17-ALPHA-BROMOETHYNYL AND 17-ALPHA-IODOETHYNYL-17-BETA-HYDROXY STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-26 — — EP disclosed
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