SCHEMBL4146972

SCHEMBL4146972

CCCCCCCCn1cc(N)c(=O)n(CCCCCCCC)c1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MGLL Q99685 3/20 0.39
FAAH O00519 2/20 0.39
TLR8 Q9NR97 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL4146852 0.95 TDP1 (0.40) ADORA2BKMT2AGAAMEN1TDP1
SCHEMBL7196320 0.84 ADORA2B (0.49) ADORA2BPTGS1PTGS2MGLLFAAH
SCHEMBL4152333 0.81 TDP1 (0.41) ADORA2BTLR8GAATDP1USP2
SCHEMBL4156451 0.79 PDE4A (0.43) ADORA2BTDP1
SCHEMBL28435216 0.71 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHTLR8
SCHEMBL28440804 0.71 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHTLR8
SCHEMBL28439331 0.71 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHTLR8
SCHEMBL4148123 0.70 ADRA2A (0.42) ADORA2BPTGS1PTGS2MGLLFAAH
SCHEMBL4150749 0.68 PDE4A (0.42) ADORA2BCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL8146236 0.68 TLR8 (0.46) PTGS1PTGS2MGLLFAAHTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048374-A1 STABILIZER COMPOSITIONS FOR HALOGENATED POLYMERS WITH IMPROVED INITIAL COLOR AND IMPROVED COLOR MAINTENANCE BAERLOCHER GMBH (DE) 2009-02-19 US disclosed
EP-1996649-A1 STABILIZER COMPOSITIONS FOR HALOGENATED POLYMERS WITH IMPROVED INITIAL COLOR AND IMPROVED COLOR MAINTENANCE Baerlocher GmbH (DE) 2008-12-03 EP disclosed
WO-2007104379-A1 STABILIZER COMPOSITIONS FOR HALOGENATED POLYMERS WITH IMPROVED INITIAL COLOR AND IMPROVED COLOR MAINTENANCE BAERLOCHER GMBH (DE) 2007-09-20 WO disclosed