SCHEMBL4735773

SCHEMBL4735773

CC(C)(C)OC(C)(C)C.CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.60
GPBAR1 Q8TDU6 2/20 0.60
AKR1B10 O60218 1/20 0.60
AKR1B1 P15121 1/20 0.60
EFNA1 P20827 1/20 0.60
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
OSBP P22059 3/20 0.53
OSBP2 Q969R2 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL3447578 0.93 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL28093234 0.93 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL30575186 0.93 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL17912309 0.93 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL133953 0.93 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Methoxymethane SCHEMBL4737657 0.92 GPBAR1 (0.64) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Water SCHEMBL4949880 0.92 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL4735796 0.90 GPBAR1 (0.62) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Ether SCHEMBL4735230 0.89 EPHA2 (0.61) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL4735219 0.89 EPHA2 (0.60) EPHA2GPBAR1AKR1B10AKR1B1EFNA1

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
WO-2008077247-A1 COATINGS FOR IMPLANTABLE MEDICAL DEVICES COMPRISING CHOLESTEROL MIV THERAPEUTICS INC. (CA) 2008-07-03 WO disclosed