SCHEMBL13855720

SCHEMBL13855720

C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.55
MAPK1 P28482 2/20 0.55
POLB P06746 1/20 0.55
AR P10275 1/20 0.53
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NR3C1 P04150 2/20 0.50
PGR P06401 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
ABCB11 O95342 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
AGTR1 P30556 1/20 0.50
PTGS2 P35354 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GUSB P08236 1/20 0.49
ADRA1A P35348 1/20 0.48

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
SCHEMBL28827028 1.00 SHBG (0.55) SHBGMAPK1POLBARALDH1A1
SCHEMBL28060038 1.00 SHBG (0.55) SHBGMAPK1POLBARALDH1A1
SCHEMBL4115261 1.00 SHBG (0.55) SHBGMAPK1POLBARALDH1A1
SCHEMBL4115264 1.00 SHBG (0.55) SHBGMAPK1POLBARALDH1A1
SCHEMBL13558383 0.85 SERPINA6 (0.52) SHBGMAPK1POLBARALDH1A1
SCHEMBL5700376 0.85 AR (0.41) SHBGMAPK1POLBARALDH1A1
SCHEMBL11336320 0.85 STS (0.44) SHBGMAPK1POLBARALDH1A1
SCHEMBL11036779 0.85 STS (0.44) SHBGMAPK1POLBARALDH1A1
SCHEMBL5700374 0.85 AR (0.41) SHBGMAPK1POLBARALDH1A1
SCHEMBL11036780 0.85 STS (0.44) SHBGMAPK1POLBARALDH1A1

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-8425784-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2013-04-23 US disclosed
US-20090118498-A1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS ARCHER DANIELS MIDLAND COMPANY 2009-05-07 US disclosed