SCHEMBL13015302

SCHEMBL13015302

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.77
HSD17B10 Q99714 1/20 0.77
ESR1 P03372 5/20 0.69
SMN1; SMN2 Q16637 4/20 0.65
MAPT P10636 2/20 0.65
HSD17B1 P14061 2/20 0.65
RECQL P46063 1/20 0.65
PGR P06401 2/20 0.62
SLC6A3 Q01959 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
ATM Q13315 2/20 0.62
AR P10275 1/20 0.62
CHRM1 P11229 1/20 0.62
TBXA2R P21731 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 2/20 0.60
TP53 P04637 1/20 0.60
ABCC4 O15439 2/20 0.59

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
SCHEMBL10079788 1.00 LMNA (0.77) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL17808696 0.87 LMNA (0.60) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL2713500 0.87 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT
Estradiol Methyl Ether SCHEMBL6464173 0.87 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL19961981 0.87 ESR1 (0.77) LMNAHSD17B10ESR1SMN1; SMN2MAPT
Estradiol Methyl Ether SCHEMBL23645792 0.87 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL23645808 0.87 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL23645593 0.87 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT
Estradiol Methyl Ether SCHEMBL18686406 0.87 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL2712915 0.87 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416383-B2 Method for enhancing catalytic activity of a lipase UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-08-16 US disclosed
US-20100330628-A1 ACTIVATED LIPASES AND METHODS OF USE THEREFOR THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2010-12-30 US disclosed