SCHEMBL16628497

SCHEMBL16628497

CSC(=S)N(C)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.76
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.47
FAAH O00519 1/20 0.47
MEN1 O00255 1/20 0.46
IDO1 P14902 1/20 0.46
ABCC1 P33527 1/20 0.45
AOC3 Q16853 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL27992535 0.98 MGLL (0.73) MGLLCA12CA9CA1CA2
SCHEMBL28815421 0.98 MGLL (0.73) MGLLCA12CA9CA1CA2
Quinoxaline SCHEMBL27407217 0.87 MGLL (0.59) MGLLCA12CA9CA1CA2
SCHEMBL8465131 0.86 MGLL (1.00) MGLLCA12CA9CA1CA2
SCHEMBL18219125 0.82 MGLL (0.71) MGLLCA12CA9CA1CA2
SCHEMBL17966398 0.81 MGLL (0.89) MGLLCA12CA9CA1CA2
SCHEMBL2796515 0.81 TAAR1 (0.52) MGLLCA12CA9CA1CA2
SCHEMBL27773041 0.79 CA12 (0.68) MGLLCA12CA9CA1CA2
SCHEMBL11099519 0.78 CA12 (0.66) MGLLCA12CA9CA1CA2
SCHEMBL10262049 0.78 CA12 (0.66) MGLLCA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860170-B1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL IND LTD (JP) 2019-08-28 EP disclosed
EP-2860170-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE Osaka Organic Chemical Ind., Ltd. (JP) 2015-04-15 EP disclosed