SCHEMBL18504664

SCHEMBL18504664

CCCOC(=O)c1cccc(SC)c1COc1ccn(O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 7/20 0.37
LMNA P02545 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PDK2 Q15119 1/20 0.33
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL18504653 0.92 ALDH1A1 (0.46) ALDH1A1TSHRLMNANPSR1TDP1
SCHEMBL18504236 0.91 ALDH1A1 (0.41) ALDH1A1TSHRLMNANPSR1TDP1
SCHEMBL18504658 0.89 ALDH1A1 (0.40) ALDH1A1TSHRLMNATDP1L3MBTL1
SCHEMBL22563969 0.89 ALDH1A1 (0.41) ALDH1A1TSHRLMNANPSR1TDP1
SCHEMBL18504919 0.88 ALDH1A1 (0.39) ALDH1A1TSHRLMNATDP1L3MBTL1
SCHEMBL18504292 0.88 ALDH1A1 (0.39) ALDH1A1TSHRLMNATDP1L3MBTL1
SCHEMBL18504402 0.87 TSHR (0.43) ALDH1A1TSHRLMNANPSR1TDP1
SCHEMBL18504667 0.86 ALDH1A1 (0.45) ALDH1A1TSHRLMNATDP1L3MBTL1
SCHEMBL18504288 0.86 ALDH1A1 (0.45) ALDH1A1TSHRLMNATDP1L3MBTL1
SCHEMBL18504404 0.85 ALDH1A1 (0.44) ALDH1A1TSHRLMNATDP1L3MBTL1

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-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed