SCHEMBL1024106

SCHEMBL1024106

CCCCCCCCCCCCCCCC(=O)NCCCNCC(O)O.CCCCCCCCCCCCCCCC(=O)NCCCNCCO

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.55
NAAA Q02083 1/20 0.54
DNM1 Q05193 2/20 0.52
FAAH O00519 4/20 0.51
CNR1 P21554 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CASP2 P42575 1/20 0.49

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
SCHEMBL113981 0.93 FAAH (0.58) SELPNAAADNM1FAAHCASP2
SCHEMBL117804 0.93 FAAH (0.58) SELPNAAADNM1FAAHCASP2
SCHEMBL116647 0.93 FAAH (0.58) SELPNAAADNM1FAAHCASP2
SCHEMBL115762 0.90 NAAA (0.66) SELPNAAADNM1FAAHCNR1
SCHEMBL114326 0.90 NAAA (0.66) SELPNAAADNM1FAAHCNR1
SCHEMBL117497 0.90 NAAA (0.66) SELPNAAADNM1FAAHCNR1
SCHEMBL10792519 0.90 NAAA (0.66) SELPNAAADNM1FAAHCNR1
SCHEMBL22714167 0.89 SELP (0.55) SELPNAAADNM1FAAHCNR1
SCHEMBL28285232 0.86 FAAH (0.59) SELPNAAADNM1FAAHCNR1
SCHEMBL31613190 0.85 FAAH (0.57) SELPNAAADNM1FAAHCNR1

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
EP-2272489-A1 Method for levelling hair colour KPSS-Kao Professional Salon Services GmbH (DE) 2011-01-12 EP disclosed