SCHEMBL15580628

SCHEMBL15580628

CCCCCC[C@H](N)C(=O)c1ccc(S)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
HSD17B3 P37058 5/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
BDKRB2 P30411 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9344802 0.84 CES2 (0.50) MMP2MMP9MMP12GRIK1GRIK2
SCHEMBL28574985 0.84 CES2 (0.50) MMP2MMP9MMP12GRIK1GRIK2
Hydrochloric Acid SCHEMBL928942 0.83 MMP2 (0.49) MMP2MMP9MMP12GRIK1GRIK2
SCHEMBL27287213 0.82 CES2 (0.49) MMP2MMP9MMP12GRIK1GRIK2
SCHEMBL22151836 0.81 MMP2 (0.50) MMP2MMP9MMP12GRIK1GRIK2
Hydrochloric Acid SCHEMBL9449101 0.81 CES2 (0.47) MMP2MMP9MMP12GRIK1GRIK2
SCHEMBL11137673 0.81 ALDH1A1 (0.54) MMP2MMP9MMP12SPHK1S1PR2
SCHEMBL11133669 0.81 SPHK1 (0.44) SPHK1S1PR2S1PR1BDKRB2
SCHEMBL11262543 0.79 SPHK1 (0.48) SPHK1S1PR2S1PR1MAPTALDH1A1
SCHEMBL11134214 0.79 S1PR1 (0.58) SPHK1S1PR2S1PR1MAPTALDH1A1

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-2105298-B1 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORP (JP) 2014-03-19 EP disclosed