SCHEMBL9003433

SCHEMBL9003433

COc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.COc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.COc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.COc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.COc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.COc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.COc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.COc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
PTGES O14684 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.38
CXCR3 P49682 1/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
LDHA P00338 1/20 0.37

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
SCHEMBL2329263 0.87 LTA4H (0.57) LTA4HHTTSIGMAR1USP2TP53
SCHEMBL9003421 0.84 LTA4H (0.50) LTA4HHTTSIGMAR1USP2TP53
SCHEMBL31229747 0.84 LTA4H (0.50) LTA4HHTTSIGMAR1ALDH1A1USP2
SCHEMBL29285349 0.74 LTA4H (0.53) LTA4HHTTSIGMAR1ALDH1A1USP2
SCHEMBL6271694 0.72 CA1 (0.44) ALDH1A1NPC1TDP1L3MBTL1RAB9A
SCHEMBL8028707 0.71 KMT2A (0.51) LTA4HHTTALDH1A1NPC1TDP1
SCHEMBL12934387 0.70 LTA4H (0.67) LTA4HHTTSIGMAR1ALDH1A1NPC1
SCHEMBL1127586 0.69 TSHR (0.46) ALDH1A1TP53TDP1
Hydrochloric Acid SCHEMBL1047049 0.68 LTA4H (0.54) LTA4HHTTL3MBTL1
Bromide SCHEMBL1045380 0.68 LTA4H (0.54) LTA4HHTTALDH1A1L3MBTL1

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