SCHEMBL21067799

SCHEMBL21067799

COc1[c]cc2c(c1)[C@H]1CC[C@]3(C)[C@@H](CC#N)CC[C@H]3[C@@H]1CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
HSD17B10 Q99714 3/20 0.44
LMNA P02545 3/20 0.44
CYP19A1 P11511 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
GMNN O75496 1/20 0.44

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
SCHEMBL3381819 0.87 CYP19A1 (0.48) STSCA2CA9HSD17B10LMNA
SCHEMBL3381378 0.82 HSD17B10 (0.49) STSCA2CA9HSD17B10LMNA
SCHEMBL4649266 0.82 HSD17B10 (0.43) STSCA2CA9HSD17B10LMNA
SCHEMBL3385066 0.81 HSD17B10 (0.48) STSCA2CA9HSD17B10LMNA
SCHEMBL4650084 0.81 HSD17B10 (0.42) STSCA2CA9HSD17B10LMNA
SCHEMBL1237030 0.80 STS (0.74) STSCA2CA9HSD17B10LMNA
SCHEMBL7076832 0.80 LMNA (0.67) STSCA2CA9HSD17B10LMNA
SCHEMBL3383855 0.79 CYP19A1 (0.46) STSCA2CA9HSD17B10LMNA
SCHEMBL2637589 0.79 CYP19A1 (0.45) STSCA2CA9HSD17B10LMNA
SCHEMBL4648214 0.79 CYP19A1 (0.45) STSCA2CA9HSD17B10LMNA

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-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed