SCHEMBL11490336

SCHEMBL11490336

CCOC(=O)CCSC(=S)NCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
MAPT P10636 2/20 0.49
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
PPIB P23284 1/20 0.45
PPIA P62937 1/20 0.45
PPID Q08752 1/20 0.45
PPIG Q13427 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL11490031 0.93 MAPK1 (0.47) MAPK1MAPTEPHX2ALDH1A1HPGD
SCHEMBL11489717 0.92 MAPK1 (0.46) MAPK1MAPTEPHX2ALDH1A1HPGD
SCHEMBL11491335 0.91 MAPK1 (0.46) MAPK1MAPTEPHX2ALDH1A1HPGD
SCHEMBL11489721 0.82 MAPK1 (0.46) MAPK1MAPTALDH1A1HPGDPPIB
SCHEMBL11489741 0.82 ALDH1A1 (0.50) MAPK1MAPTEPHX2ALDH1A1HPGD
SCHEMBL11495394 0.81 MEN1 (0.51) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL11491381 0.81 LMNA (0.46) MAPK1EPHX2KMT2ALMNAGAA
SCHEMBL11496733 0.81 MAPT (0.54) MAPK1MAPTALDH1A1HPGDMEN1
SCHEMBL11490138 0.80 MAPK1 (0.46) MAPK1MAPTEPHX2ALDH1A1MEN1
SCHEMBL11491354 0.80 PPID (0.53) MAPTEPHX2ALDH1A1PPIDMEN1

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-4202832-A ANTILIPEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-05-13 US disclosed