SCHEMBL7903508

SCHEMBL7903508

C=CCCCCCCCCC(=O)Oc1ccc([S+](C)C)cc1.O=[N+]([O-])[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
EGFR P00533 5/20 0.44
ERBB2 P04626 5/20 0.44
KMT2A Q03164 5/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCC4 O15439 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MEN1 O00255 1/20 0.34
SLC22A2 O15244 1/20 0.34
TMPRSS2 O15393 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL7901795 0.87 ALDH1A1 (0.45) ALDH1A1LMNAEGFRERBB2KMT2A
SCHEMBL13164409 0.82 BCL9 (0.59) ALDH1A1LMNAEGFRERBB2KMT2A
SCHEMBL28158388 0.79 LMNA (0.54) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL31447344 0.77 KMT2A (0.57) ALDH1A1LMNAKMT2ABCL9CTNNB1
SCHEMBL5705981 0.77 KMT2A (0.47) ALDH1A1LMNAEGFRERBB2KMT2A
SCHEMBL14894793 0.77 BCL9 (0.62) ALDH1A1EGFRERBB2KMT2ABCL9
Bromide SCHEMBL9617521 0.76 KMT2A (0.56) ALDH1A1LMNAKMT2ABCL9CTNNB1
SCHEMBL9879360 0.76 KMT2A (0.51) ALDH1A1LMNAEGFRERBB2KMT2A
SCHEMBL28835276 0.76 KMT2A (0.51) ALDH1A1LMNAEGFRERBB2KMT2A
SCHEMBL24565376 0.76 PRSS1 (0.56) ALDH1A1LMNAEGFRERBB2KMT2A

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-6238541-B1 ADHESION; CORROSION RESISTANCE; SURFACE TREATMENT NIPPON PAINT CO., LTD. (JP) 2001-05-29 US disclosed