SCHEMBL9003349

SCHEMBL9003349

CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc([S+](C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.37
CA4 P22748 1/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PTGS2 P35354 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KIF11 P52732 1/20 0.33
KCNH2 Q12809 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 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
SCHEMBL8756217 0.84 TSHR (0.32) LMNA
SCHEMBL8568244 0.81 LTA4H (0.38) LTA4HCA4DRD2DRD4DRD3
SCHEMBL307630 0.81 CA1 (0.44) L3MBTL1TDP1
SCHEMBL7744440 0.80 CA1 (0.42) L3MBTL1TDP1
SCHEMBL8772310 0.80 CA1 (0.42) L3MBTL1TDP1
SCHEMBL8756194 0.79 TSHR (0.35) LTA4HPTGS2TDP1SIGMAR1SMN1; SMN2
Tetraphenylphosphonium SCHEMBL8567169 0.78 LTA4H (0.38) LTA4HCA4DRD2DRD4DRD3
SCHEMBL8757349 0.78 NPC1 (0.45) MAPTL3MBTL1RAB9ANPC1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL8567877 0.78 CA12 (0.41) ALDH1A1L3MBTL1
SCHEMBL225939 0.78 TSHR (0.38) LTA4HPTGS2TDP1SIGMAR1SMN1; SMN2

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed