SCHEMBL12379469

SCHEMBL12379469

CC(C)NC(=O)C1CC2C3CCc4cc(OCc5ccccc5)ccc4C3CC[C@]2(C)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.72
MAPT P10636 1/20 0.72
MAPK1 P28482 1/20 0.72
HSD17B1 P14061 5/20 0.67
HRH3 Q9Y5N1 3/20 0.59
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54
STS P08842 4/20 0.53
LMNA P02545 2/20 0.49
ESR1 P03372 2/20 0.49
NR3C1 P04150 1/20 0.49
SHBG P04278 1/20 0.49
FYN P06241 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2B P41595 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 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
SCHEMBL2292774 0.93 HSD17B1 (0.78) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL12379472 0.93 HSD17B1 (0.78) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL2287452 0.90 HSD17B1 (0.64) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL12379451 0.89 USP2 (0.80) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL7518219 0.89 USP2 (0.80) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL2290207 0.89 USP2 (0.80) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL1979067 0.89 USP2 (0.76) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL12379442 0.89 USP2 (0.76) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL1979069 0.89 USP2 (0.76) USP2MAPTMAPK1HSD17B1HRH3
SCHEMBL12379467 0.86 USP2 (0.72) USP2MAPTMAPK1HSD17B1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003783-B2 Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer STERIX LIMITED (GB) 2011-08-23 US disclosed
US-8003783-B2 Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer STERIX LIMITED (GB) 2011-08-23 US disclosed
EP-2336146-A1 17beta-hydroxysteroid dehydrogenase inhibitors Sterix Limited (GB) 2011-06-22 EP disclosed