SCHEMBL4407098

SCHEMBL4407098

CCCCCCc1nnnn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP19A1 P11511 3/20 0.55
NPC1 O15118 1/20 0.51
LMNA P02545 2/20 0.50
DAGLA Q9Y4D2 1/20 0.45
TLR7 Q9NYK1 3/20 0.44
P2RX7 Q99572 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL4407461 0.98 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACYP19A1NPC1
SCHEMBL4411061 0.94 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP19A1LMNA
SCHEMBL4407027 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACYP19A1LMNA
SCHEMBL95272 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNADAGLA
SCHEMBL95273 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNADAGLA
SCHEMBL8467021 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNADAGLA
SCHEMBL31272698 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP19A1NPC1
SCHEMBL31272502 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP19A1NPC1
SCHEMBL31272400 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP19A1NPC1
SCHEMBL31272447 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP19A1NPC1

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