SCHEMBL3381378

SCHEMBL3381378

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.49
CYP19A1 P11511 5/20 0.49
LMNA P02545 4/20 0.49
CYP1A2 P05177 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1B1 Q16678 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
SHBG P04278 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
GMNN O75496 1/20 0.49
MTOR P42345 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL4648214 0.93 CYP19A1 (0.45) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL3385066 0.88 HSD17B10 (0.48) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL3383855 0.85 CYP19A1 (0.46) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL3381819 0.85 CYP19A1 (0.48) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL2637589 0.84 CYP19A1 (0.45) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL2638387 0.84 HSD17B10 (0.57) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL4649339 0.84 LMNA (0.47) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL21067799 0.82 STS (0.61) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL4649266 0.82 HSD17B10 (0.43) HSD17B10CYP19A1LMNACYP1A2MEN1
SCHEMBL4648301 0.81 MEN1 (0.45) HSD17B10CYP19A1LMNACYP1A2MEN1

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
EP-1599493-B1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LTD (GB) 2010-11-24 EP disclosed