SCHEMBL7021703

SCHEMBL7021703

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(C#N)CC[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.71
HSD17B10 Q99714 1/20 0.71
ESR1 P03372 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 2/20 0.60
HSD17B1 P14061 2/20 0.60
RECQL P46063 1/20 0.60
PGR P06401 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
NR3C1 P04150 1/20 0.58
CNR1 P21554 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
AR P10275 1/20 0.58
CHRM1 P11229 1/20 0.58

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
SCHEMBL11694117 0.89 LMNA (0.71) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL11694106 0.89 LMNA (0.71) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL8840026 0.85 ESR1 (0.71) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL8432580 0.85 ESR1 (0.71) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL7076832 0.84 LMNA (0.67) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL10079788 0.84 LMNA (0.77) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL13015302 0.84 LMNA (0.77) LMNAHSD17B10ESR1SMN1; SMN2MAPT
Estradiol Methyl Ether SCHEMBL23645792 0.83 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL2713500 0.83 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL23645808 0.83 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135403-B1 17BETA-ACYL-17ALPHA-PROPYNYL-11BETA-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RES TRIANGLE INST (US) 2003-07-30 EP disclosed
EP-1135403-A4 17BETA-ACYL-17ALPHA-PROPYNYL-11BETA-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RES TRIANGLE INST (US) 2002-03-27 EP disclosed
EP-1135403-A1 17BETA-ACYL-17ALPHA-PROPYNYL-11BETA-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 2001-09-26 EP disclosed
US-6172052-B1 ANTITUMOR AGENTS, HORMONE REPLACEMENT THERAPY, ANTIPROGESTATION ACTIVITY RESEARCH TRIANGLE INSTITUTE 2001-01-09 US disclosed
WO-2000034306-A1 17β-ACYL-17α-PROPYNYL-11β-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 2000-06-15 WO disclosed