SCHEMBL4444349

SCHEMBL4444349

CCCCCCCCCCC(CCCCCCCCCC)NCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CHRM2 P08172 1/20 0.43
KCNH2 Q12809 8/20 0.43
TMEM97 Q5BJF2 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
ADRA2A P08913 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
Hydrochloric Acid SCHEMBL5604170 0.98 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDCHRM2KCNH2
SCHEMBL7065867 0.83 TLR2 (0.51)
SCHEMBL22363311 0.83 TLR2 (0.51)
SCHEMBL11702193 0.83 TLR2 (0.51)
SCHEMBL1091520 0.83 TLR2 (0.51)
SCHEMBL23634016 0.83 TLR2 (0.51)
SCHEMBL19087037 0.83 TLR2 (0.51)
SCHEMBL11349595 0.83 TLR2 (0.51)
SCHEMBL1090569 0.83 TLR2 (0.51)
SCHEMBL18741386 0.83 TLR2 (0.51)

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
US-7582694-B2 Antimicrobial lubricant for wood fiber-plastic composites LONZA, INC. (US) 2009-09-01 US disclosed
EP-1567586-B1 ANTIMICROBIAL LUBRICANT FOR WOOD FIBER-PLASTIC COMPOSITES LONZA AG (US) 2008-01-09 EP disclosed