SCHEMBL9003291

SCHEMBL9003291

CCCC[B-](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.Clc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.35
GLA P06280 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KMT2A Q03164 2/20 0.33
KLK7 P49862 1/20 0.33
ACP1 P24666 1/20 0.33
C5AR1 P21730 1/20 0.32
KDR P35968 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 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
SCHEMBL1130972 0.81 GLA (0.36) TDP1LMNAHTTSMN1; SMN2LTA4H
SCHEMBL9003359 0.80 SMN1; SMN2 (0.33) SMN1; SMN2SIGMAR1TP53KMT2AMEN1
SCHEMBL9003657 0.79 MAOA (0.38)
SCHEMBL2329263 0.77 LTA4H (0.57) TDP1HTTLTA4HSIGMAR1TP53
SCHEMBL8757068 0.76 SMN1; SMN2 (0.36) TDP1SMN1; SMN2SIGMAR1L3MBTL1TLR7
SCHEMBL307630 0.75 CA1 (0.44) TDP1L3MBTL1
SCHEMBL9003420 0.74 HPGD (0.31)
SCHEMBL1130224 0.74 TDP1 (0.38) TDP1LMNAHTTSMN1; SMN2LTA4H
SCHEMBL8772310 0.74 CA1 (0.42) TDP1L3MBTL1
SCHEMBL7744440 0.74 CA1 (0.42) TDP1L3MBTL1

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