SCHEMBL29942015

SCHEMBL29942015

COc1ccc2c(c1)[C@H]1CC[C@]3(C)[C@@H](CC#N)CC[C@H]3[C@@H]1CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
LMNA P02545 5/20 0.56
HSD17B10 Q99714 3/20 0.56
ESR1 P03372 3/20 0.51
HSD17B1 P14061 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL7076832 0.92 LMNA (0.67) STSCA2CA9LMNAHSD17B10
SCHEMBL7080864 0.83 CYP19A1 (0.50) STSCA2CA9LMNAHSD17B10
SCHEMBL1237030 0.82 STS (0.74) STSCA2CA9LMNAHSD17B10
SCHEMBL21067799 0.82 STS (0.61) STSCA2CA9LMNAHSD17B10
SCHEMBL12077721 0.81 HSD17B10 (0.83) STSLMNAHSD17B10ESR1MAPT
SCHEMBL7054356 0.79 LMNA (0.72) STSLMNAHSD17B10ESR1HSD17B1
SCHEMBL15308955 0.79 LMNA (0.72) STSLMNAHSD17B10ESR1HSD17B1
SCHEMBL4995702 0.79 LMNA (0.72) STSLMNAHSD17B10ESR1HSD17B1
SCHEMBL7054352 0.79 LMNA (0.72) STSLMNAHSD17B10ESR1HSD17B1
SCHEMBL12888895 0.79 STS (0.64) STSCA2CA9LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed