SCHEMBL7147482

SCHEMBL7147482

C=C1C[C@@H](O)[C@@]2(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.64
ESR2 Q92731 7/20 0.64
LMNA P02545 5/20 0.64
HSD17B10 Q99714 4/20 0.64
SHBG P04278 4/20 0.64
STS P08842 4/20 0.64
HIF1A Q16665 3/20 0.64
PGR P06401 3/20 0.64
SERPINA6 P08185 3/20 0.64
AR P10275 3/20 0.64
SLC6A4 P31645 3/20 0.64
SNCA P37840 3/20 0.64
SLC6A3 Q01959 3/20 0.64
CYP3A4 P08684 3/20 0.64
TSHR P16473 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
NR3C1 P04150 2/20 0.64
CYP1A2 P05177 2/20 0.64
AKR1B10 O60218 2/20 0.64

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
SCHEMBL5675177 1.00 ESR1 (0.64) ESR1ESR2LMNAHSD17B10SHBG
SCHEMBL8623796 0.87 LMNA (0.67) ESR1ESR2LMNAHSD17B10SHBG
SCHEMBL6871662 0.82 STS (0.69) ESR1ESR2LMNAHSD17B10STS
SCHEMBL7097126 0.82 ABCC1 (0.48) ESR1ESR2LMNAHSD17B10SHBG
SCHEMBL6636478 0.82 ABCC1 (0.48) ESR1ESR2LMNAHSD17B10SHBG
SCHEMBL8778685 0.82 ESR1 (0.44) ESR1ESR2LMNAHSD17B10SHBG
SCHEMBL7100301 0.82 ABCC1 (0.47) ESR1ESR2LMNAHSD17B10SHBG
SCHEMBL1978822 0.81 CYP2D6 (0.72) ESR1ESR2LMNAHSD17B10SHBG
SCHEMBL1978824 0.81 CYP2D6 (0.72) ESR1ESR2LMNAHSD17B10SHBG
SCHEMBL7148062 0.81 ABCC4 (0.55) ESR1ESR2LMNAHSD17B10SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172056-B1 ADMINISTERING A ESTROGEN COMPOUND JENAPHARM GMBH & CO. KG (DE) 2001-01-09 US claimed
EP-0707593-B1 ORALLY ADMINISTERABLE ESTERS OF 14 ALPHA,15 ALPHA-METHYLENE-OESTRADIOL WITH AN OESTROGENIC ACTION JENAPHARM GMBH (DE) 1997-12-29 EP claimed
EP-1273590-A2 Estra- 1,3,5(10)-triene Derivatives, Methods of Preparing Such Compounds and Pharmaceutical Compositions Containing Them Jenapharm GmbH & Co. KG (DE) 2003-01-08 EP disclosed
US-6172056-B1 ADMINISTERING A ESTROGEN COMPOUND JENAPHARM GMBH & CO. KG (DE) 2001-01-09 US disclosed
US-6172056-B1 ADMINISTERING A ESTROGEN COMPOUND JENAPHARM GMBH & CO. KG (DE) 2001-01-09 US disclosed
EP-0707593-B1 ORALLY ADMINISTERABLE ESTERS OF 14 ALPHA,15 ALPHA-METHYLENE-OESTRADIOL WITH AN OESTROGENIC ACTION JENAPHARM GMBH (DE) 1997-12-29 EP disclosed
EP-0775155-A1 ESTRA-1,3,5(10)-TRIENE DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Jenapharm GmbH & Co. KG (DE) 1997-05-28 EP disclosed
WO-1996005216-A1 ESTRA-1,3,5(10)-TRIENE DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JENAPHARM GMBH (DE) 1996-02-22 WO disclosed