SCHEMBL4411061

SCHEMBL4411061

CCCCc1nnnn1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
DAGLA Q9Y4D2 1/20 0.47
CYP19A1 P11511 4/20 0.47
P2RX7 Q99572 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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 0.95 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL4407098 0.94 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL4407027 0.90 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1LMNADAGLA
SCHEMBL7315351 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNADAGLA
SCHEMBL156417 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL95272 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNADAGLA
SCHEMBL95273 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNADAGLA
SCHEMBL8467021 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL31272198 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL15110717 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNADAGLA

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