SCHEMBL6123115

SCHEMBL6123115

CCCCCSN(SCCCCC)C(=S)SSC(=S)N(SCCCCC)SCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
ALDH2 P05091 5/20 0.48
MGLL Q99685 4/20 0.47
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 2/20 0.39
CYP3A4 P08684 2/20 0.39
FBP1 P09467 2/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
LOX P28300 2/20 0.39
HTT P42858 2/20 0.39
LOXL3 P58215 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LOXL4 Q96JB6 2/20 0.39

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
SCHEMBL8816142 0.74 ALDH1A1 (0.48) ALDH1A1ALDH2MGLLTP53MAPT
Thiram SCHEMBL9314198 0.72 ALDH1A1 (0.54) ALDH1A1ALDH2MGLLTP53MAPT
Thiram SCHEMBL20473181 0.71 ALDH1A1 (0.52) ALDH1A1ALDH2MGLLTP53MAPT
Thiram SCHEMBL20473180 0.71 ALDH1A1 (0.52) ALDH1A1ALDH2MGLLTP53MAPT
Thiram SCHEMBL22471732 0.71 ALDH1A1 (0.52) ALDH1A1ALDH2MGLLTP53MAPT
SCHEMBL6254604 0.70 EPHX1 (0.35) MGLLTP53MAPTHSD17B10GMNN
Thiram SCHEMBL9246528 0.69 ALDH1A1 (0.50) ALDH1A1ALDH2MGLLTP53MAPT
SCHEMBL283865 0.68 ALDH1A1 (0.86) ALDH1A1ALDH2MGLLTP53MAPT
SCHEMBL14166676 0.67 CES2 (0.46) ALDH1A1HSD17B10ALOX15KMT2ATSHR
SCHEMBL11292896 0.67 CES2 (0.42) ALDH1A1TP53MAPTHSD17B10ALOX15

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
EP-1428866-B1 LUBRICATING OIL COMPOSITION NIPPON OIL CORP (JP) 2012-05-23 EP disclosed