SCHEMBL23732156

SCHEMBL23732156

CCN(C(=S)SCCC(=O)N(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
MLYCD O95822 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
SCHEMBL23690530 0.84 KMT2A (0.43) ALDH1A1TP53SMN1; SMN2HPGDNFKB1
SCHEMBL21578148 0.84 FAAH (0.53) ALDH1A1TP53SMN1; SMN2NFKB1NFKB2
SCHEMBL4437686 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL21578147 0.74 PHGDH (0.50) ALDH1A1TSHRTP53SMN1; SMN2HPGD
SCHEMBL11303083 0.74 ALDH1A1 (0.54) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL1024200 0.73 ALDH1A1 (0.57) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL2077754 0.73 L3MBTL1 (0.54) ALDH1A1GLATSHRSMN1; SMN2HPGD
SCHEMBL11423794 0.72 ALDH1A1 (0.55) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL23690704 0.71 PHGDH (0.46) ALDH1A1SMN1; SMN2MAPT
SCHEMBL380050 0.71 ALDH1A1 (0.76) ALDH1A1GLATSHRTP53SMN1; SMN2

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-20210242500-A1 ELECTROLYTES FOR FAST CHARGING LITHIUM ION BATTERIES HAVING FOUR-CARBON CHAIN ESTERS AS LINEAR COMPONENTS StoreDot Ltd. (IL) 2021-08-05 US disclosed