SCHEMBL3394492

SCHEMBL3394492

CCCCC[S+](CCCCC)CC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.49
CES2 O00748 3/20 0.49
NAAA Q02083 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B3 P37058 5/20 0.42
GSK3B P49841 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL106336 0.98 CES1 (0.50) CES1CES2NAAAL3MBTL1MAPT
SCHEMBL107173 0.98 CES1 (0.50) CES1CES2NAAAL3MBTL1MAPT
Bromide SCHEMBL8757443 0.97 CES1 (0.49) CES1CES2NAAAL3MBTL1MAPT
SCHEMBL106555 0.95 CES1 (0.47) CES1CES2NAAAL3MBTL1MAPT
Bromide SCHEMBL9716135 0.93 CES1 (0.46) CES1CES2NAAAL3MBTL1MAPT
SCHEMBL4579630 0.89 CES1 (0.42) CES1CES2NAAAL3MBTL1MAPT
SCHEMBL8757328 0.86 CES2 (0.40) CES1CES2NAAAL3MBTL1MAPT
SCHEMBL3440454 0.83 CES1 (0.49) CES1CES2NAAAL3MBTL1MAPT
SCHEMBL1127720 0.83 CES1 (0.49) CES1CES2NAAAL3MBTL1MAPT
SCHEMBL1598481 0.83 CES1 (0.49) CES1CES2NAAAL3MBTL1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63152606-A None JP disclosed
JP-63150260-A None JP disclosed
CN-106125509-B LED-curable liquid resin composition for additive fabrication 帝斯曼知识产权资产管理有限公司 2019-12-17 CN disclosed
EP-2237089-A1 OPTICAL WAVEGUIDE AND METHOD FOR MANUFACTURING THE SAME Hitachi Chemical Company, Ltd. (JP) 2010-10-06 EP disclosed
JP-S63152606-A NOVEL PHOTOPOLYMERIZATION INITIATOR WAKO PURE CHEM IND LTD 1988-06-25 JP disclosed
JP-S63150260-A NOVEL YLIDE COMPOUND WAKO PURE CHEM IND LTD 1988-06-22 JP disclosed