SCHEMBL4411302

SCHEMBL4411302

CCCCn1nnc(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.54
TRPV1 Q8NER1 3/20 0.54
CNR1 P21554 1/20 0.54
HDAC6 Q9UBN7 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.45
MGLL Q99685 2/20 0.43
DAGLA Q9Y4D2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL4407064 0.95 CNR2 (0.52) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL4410788 0.94 CNR2 (0.51) CNR2TRPV1CNR1HDAC6
SCHEMBL4407827 0.90 CNR2 (0.56) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL836445 0.84 CNR2 (0.50) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL4404110 0.83 TRPV1 (0.59) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL22205171 0.82 TRPV1 (0.46) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL4405605 0.78 HDAC6 (0.68) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL9111574 0.77 S1PR2 (0.48) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL28186377 0.77 CNR2 (0.59) CNR2TRPV1CNR1HDAC6RAB9A
SCHEMBL4406015 0.76 CNR2 (0.50) CNR2TRPV1CNR1HDAC6TSHR

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed