SCHEMBL4407174

SCHEMBL4407174

CCCCc1nnnn1CCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 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
SCHEMBL4407820 0.94 CYP1A2 (0.40) ALDH1A1CYP1A2KMT2AMEN1CYP2C9
SCHEMBL4409040 0.92 CYP1A2 (0.39) ALDH1A1CYP1A2KMT2AMEN1CYP2C9
SCHEMBL4406557 0.92 KMT2A (0.42) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL4403827 0.90 SLC9A1 (0.41) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL4403652 0.89 SLC9A1 (0.42) ALDH1A1KMT2AMEN1CYP2C19HTT
SCHEMBL4412065 0.88 CYP1A2 (0.43) ALDH1A1CYP1A2KMT2AMEN1CYP2C9
SCHEMBL4405575 0.86 SLC9A1 (0.41) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL4414852 0.86 KMT2A (0.41) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL4409185 0.86 ALDH1A1 (0.42) ALDH1A1CYP1A2KMT2AMEN1CYP2C19
SCHEMBL3033831 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1CYP2C19LMNA

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