SCHEMBL4413092

SCHEMBL4413092

CCCn1nnnc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC9A1 P19634 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4409069 0.88 KMT2A (0.41) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL4404184 0.86 SLC9A1 (0.40) KMT2AMEN1CYP2C19LMNASLC9A1
SCHEMBL4406853 0.85 SLC9A1 (0.41) KMT2AMEN1SLC9A1
SCHEMBL4404540 0.83 ALDH1A1 (0.45) CYP1A2ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL4405004 0.82 ALDH1A1 (0.41) CYP1A2ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL4407118 0.82 ALDH1A1 (0.45) CYP1A2ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL13225928 0.82 LMNA (0.35) CYP1A2KMT2ALMNA
SCHEMBL13665887 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL12775409 0.80 ALDH1A1 (0.41) ALDH1A1KMT2APOLBLMNA
SCHEMBL4407312 0.79 ALDH1A1 (0.39) CYP1A2ALDH1A1KMT2AMEN1CYP2C9

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