SCHEMBL8568244

SCHEMBL8568244

CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc([P+](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
CA4 P22748 1/20 0.37
ACP3 P15309 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KIF11 P52732 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
Tetraphenylphosphonium SCHEMBL8567169 0.94 LTA4H (0.38) LTA4HCA4ACP3SIGMAR1DRD2
SCHEMBL8572691 0.92 CA12 (0.35) ALDH1A1LMNA
SCHEMBL8573890 0.90 LTA4H (0.42) LTA4HCA4SIGMAR1DRD2DRD4
SCHEMBL8573005 0.87 ACHE (0.43) ALDH1A1LMNANPC1RAB9A
Tetraphenylphosphonium SCHEMBL5925677 0.86 SMN1; SMN2 (0.33) LTA4HSIGMAR1NPSR1PTGS2
Tetraphenylphosphonium SCHEMBL8572503 0.84 LTA4H (0.42) LTA4HCA4SIGMAR1DRD2DRD4
SCHEMBL307630 0.82 CA1 (0.44)
SCHEMBL8572201 0.81 CA12 (0.37) LTA4HALDH1A1LMNA
SCHEMBL9003349 0.81 LTA4H (0.37) LTA4HCA4SIGMAR1DRD2DRD4
SCHEMBL8571916 0.81 CA12 (0.39) HSD17B10

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-5814427-A RESIN BINDER, FOR REUSE OF WASTE PAPER BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
EP-0678790-A1 DECOLORABLE TONER AND PRODUCTION METHOD THEREFOR BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-25 EP disclosed