SCHEMBL6008271

SCHEMBL6008271

O=C1OCC(Oc2ccc(F)cc2)O1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
ALOX5 P09917 4/20 0.34
MAOB P27338 7/20 0.33
MAOA P21397 3/20 0.33
GRM5 P41594 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8156243 0.83 SLC6A4 (0.37) MAOBMAOA
SCHEMBL20590299 0.82 CTSV (0.39) ALOX5CYP19A1
SCHEMBL18357195 0.73 ALOX5 (0.30) ALOX5
SCHEMBL21038075 0.73
SCHEMBL20253610 0.72 MAPT (0.40) ALOX5MEN1NPC1CYP1A2CYP2C9
SCHEMBL19395655 0.71 CYP1A2 (0.35) PTGS1MAOBMAOAGRM5CYP19A1
SCHEMBL19395386 0.71 PTGS1 (0.32) PTGS1ALOX5MAOBMAOAGRM5
SCHEMBL16463269 0.69 MAOB (0.45) MAOBCYP19A1
SCHEMBL17407509 0.69
SCHEMBL18784271 0.66 EPHX2 (0.41) GRM5EPHX2

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-7037624-B2 Electrolyte for lithium battery, method of preparing the same, and lithium battery comprising same SAMSUNG SDI CO., LTD. (KR) 2006-05-02 US disclosed
US-20050214649-A1 Electrolyte for lithium battery, method of preparing the same, and lithium battery comprising same SAMSUNG SDI CO., LTD. (KR) 2005-09-29 US disclosed