SCHEMBL4407261

SCHEMBL4407261

CCCCn1nnc(CC(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4403673 0.95 TRPV1 (0.37) KMT2ARECQLTRPV1
SCHEMBL4413458 0.93 TRPV1 (0.39) TRPV1
SCHEMBL4407372 0.89 RECQL (0.45) KMT2ARAB9AALDH1A1SMN1; SMN2RECQL
SCHEMBL4407234 0.81 TRPV1 (0.38) RAB9ASMN1; SMN2RECQLNPC1CNR1
SCHEMBL4414619 0.81 KMT2A (0.39) KMT2ARAB9AALDH1A1F2MAPT
SCHEMBL4409043 0.79 KMT2A (0.38) KMT2ARAB9AMEN1NPC1TSHR
SCHEMBL4414593 0.79 KMT2A (0.38) KMT2ARAB9AALDH1A1F2MAPT
SCHEMBL4405663 0.78 KMT2A (0.40) KMT2AMEN1
SCHEMBL4408960 0.77 TRPV1 (0.53) CNR1CNR2TRPV1
SCHEMBL4405063 0.76 TRPV1 (0.39) KMT2ATRPV1

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