SCHEMBL4405435

SCHEMBL4405435

CCCCn1nnc(C(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
F2 P00734 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TOP2A P11388 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL4405805 0.94 TRPV1 (0.39) KMT2AMEN1TRPV1
SCHEMBL4404201 0.88 ALDH1A1 (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4407810 0.83 DDX3X (0.39) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4407841 0.83 MAPK1 (0.38) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL24923030 0.83 LTA4H (0.39)
SCHEMBL24922979 0.81 DRD2 (0.32)
SCHEMBL4407456 0.80 MAPK1 (0.36) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4407458 0.80 DDX3X (0.36) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL421714 0.79 RAB9A (0.41) RAB9ANPC1TSHRMAPK1SMN1; SMN2
SCHEMBL22205139 0.79 ALDH1A1 (0.30) ALDH1A1

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