SCHEMBL8519575

SCHEMBL8519575

CCCCCCCCCCCCCC(=S)C(=O)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
MEN1 O00255 1/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
KMT2A Q03164 1/20 0.49
PLA2G4B P0C869 9/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
PLA2G4A P47712 1/20 0.46
FAAH O00519 4/20 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
SCHEMBL8707397 0.81 PLA2G4B (0.59) MEN1ALPLALPIALPGKMT2A
SCHEMBL9650471 0.81 PLA2G4B (0.59) MEN1ALPLALPIALPGKMT2A
SCHEMBL1743419 0.80 PLA2G4B (0.57) MEN1ALPLALPIALPGKMT2A
Dodecanoate SCHEMBL28099951 0.75 PLA2G4B (0.68) PLA2G4BPPARATSHRFAAH
SCHEMBL6247942 0.74 PLA2G4B (0.57) MEN1ALPLALPIALPGKMT2A
Pentane SCHEMBL8673099 0.74 ALOX15 (0.77) MEN1ALPLALPIALPGKMT2A
Phenetole SCHEMBL11642283 0.74 CES2 (0.49) CES2CES1MEN1KMT2ATSHR
SCHEMBL22208663 0.74 DGKA (0.53) CES2CES1TSHRFAAH
SCHEMBL28097855 0.74 DGKA (0.53) CES2CES1TSHRFAAH
SCHEMBL11644677 0.74 LTA4H (0.60) PLA2G4BTSHRFAAH

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-0923567-A1 BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1999-06-23 EP disclosed
WO-1998008834-A1 BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1998-03-05 WO disclosed