SCHEMBL8376406

SCHEMBL8376406

C[C@]12CC[C@@H]3c4ccc(O)cc4CC(O)[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.65
HSD17B1 P14061 4/20 0.65
ESR1 P03372 3/20 0.65
STS P08842 2/20 0.65
ESR2 Q92731 2/20 0.65
LMNA P02545 2/20 0.65
SHBG P04278 2/20 0.65
CYP3A4 P08684 2/20 0.65
MAPT P10636 2/20 0.65
AKR1B10 O60218 1/20 0.65
CYP1A2 P05177 1/20 0.65
PGR P06401 1/20 0.65
SERPINA6 P08185 1/20 0.65
AR P10275 1/20 0.65
AKR1B1 P15121 1/20 0.65
NFKB1 P19838 1/20 0.65
SLC6A4 P31645 1/20 0.65
OPRM1 P35372 1/20 0.65
SNCA P37840 1/20 0.65
HTR2B P41595 1/20 0.65

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
SCHEMBL10083670 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL10083673 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL6879791 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL1439356 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL3944708 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL10083683 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL12364346 0.88 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL8089798 0.88 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL12364585 0.88 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL13216952 0.88 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2

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
EP-0754190-B1 AN EQUILIN DOUBLE BOND ISOMER FROM THE ACID ISOMERIZATION OF EQUILIN AMERICAN HOME PROD (US) 1999-03-03 EP disclosed
CN-1149298-A An equilin double bond isomer from the acid isomerization of equilin AMERICAN HOME PROD (US) 1997-05-07 CN disclosed
EP-0754190-A1 AN EQUILIN DOUBLE BOND ISOMER FROM THE ACID ISOMERIZATION OF EQUILIN AMERICAN HOME PRODUCTS CORPORATION (US) 1997-01-22 EP disclosed
US-5552395-A BONE DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-03 US disclosed
US-5496814-A STEROIDS FOR BONE DISORDERS AND OXIDATION RESISTANCE AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-05 US disclosed
WO-1995027724-A1 AN EQUILIN DOUBLE BOND ISOMER FROM THE ACID ISOMERIZATION OF EQUILIN AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-19 WO disclosed
US-5395831-A Atherosclerosis and osteoporosis treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-07 US disclosed
US-4011314-A FOR TREATING ESTROGEN DEFICIENCY SCHERING AKTIENGESELLSCHAFT (DT) 1977-03-08 US disclosed