SCHEMBL4013306

SCHEMBL4013306

O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(CO)CCC[C@@H]34)[C@H]2CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.56
▸ SHBG P04278 3/20 0.56
▸ SERPINA6 P08185 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ LMNA P02545 4/20 0.51
▸ CYP3A4 P08684 4/20 0.51
▸ ABCB11 O95342 3/20 0.51
▸ SLC6A4 P31645 3/20 0.51
▸ PGR P06401 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ ESR1 P03372 2/20 0.51
▸ NR3C1 P04150 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL6301574 0.87 CYP19A1 (0.56) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9116613 0.87 CYP19A1 (0.60) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6244897 0.83 SERPINA6 (0.54) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11134362 0.82 CYP19A1 (0.54) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11884335 0.81 CYP19A1 (0.50) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL10449146 0.80 CYP19A1 (0.52) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL19608861 0.79 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11977689 0.79 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL3775778 0.79 ESR1 (0.55) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL13216466 0.79 CYP19A1 (0.66) 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 6 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
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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