SCHEMBL15314779

SCHEMBL15314779

CC1(C)COP(=O)(CCc2cccc(-c3ccccc3)c2)OC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
BACE1 P56817 4/20 0.40
GPR84 Q9NQS5 1/20 0.36
AGXT P21549 1/20 0.36
BCL2 P10415 1/20 0.35
AOC3 Q16853 3/20 0.35
FAAH O00519 1/20 0.35
NAAA Q02083 1/20 0.35
GGPS1 O95749 2/20 0.34
HSD11B1 P28845 1/20 0.34
IDH1 O75874 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CXCR3 P49682 1/20 0.33

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
SCHEMBL1987772 0.74 CYP1A2 (0.30)
SCHEMBL13697355 0.70 EPHX1 (0.37)
SCHEMBL1986100 0.67 ALDH1A1 (0.39)
SCHEMBL11358683 0.66 TDP1 (0.62) BACE1GPR84AGXTBCL2AOC3
SCHEMBL4533749 0.66 AGXT (0.52) BACE1GPR84AGXTBCL2AOC3
SCHEMBL5865103 0.66 AGXT (0.52) BACE1GPR84AGXTBCL2AOC3
SCHEMBL4145479 0.65 HSD17B10 (0.37) LIPG
SCHEMBL10078136 0.65 AGXT (0.50) BACE1GPR84AGXTBCL2AOC3
SCHEMBL5916038 0.64 TSHR (0.38) AGXTFAAHNAAAFFAR1
SCHEMBL11515483 0.63 PSMB5 (0.49) LIPGAGXTBCL2GGPS1HSD11B1

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-1925622-B1 PHOSPHORUS COMPOUND, USE THEREOF AND FLAME-RETARDANT POLYESTER FIBER DAIHACHI CHEM IND (JP) 2013-10-16 EP disclosed