SCHEMBL4409185

SCHEMBL4409185

CCCCc1nnnn1CC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTR1A P08908 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4404245 0.94 ALDH1A1 (0.41) ALDH1A1HTR1AKMT2AMEN1HTT
SCHEMBL4409151 0.92 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL4408138 0.87 ALDH1A1 (0.45) ALDH1A1HTR1AKMT2AMEN1LMNA
SCHEMBL4406557 0.86 KMT2A (0.42) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL4407174 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL4403827 0.84 SLC9A1 (0.41) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL7304012 0.84 ALDH1A1 (0.40) ALDH1A1HTR1AKMT2AMEN1LMNA
SCHEMBL4403652 0.82 SLC9A1 (0.42) ALDH1A1KMT2AMEN1HTTCYP2C19
SCHEMBL4404421 0.81 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1HTT
SCHEMBL4404533 0.81 CNR2 (0.47) ALDH1A1KMT2AMEN1CYP1A2

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 3 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
WO-2007139818-A2 PHARMACOLOGICAL TREATMENT OF COGNITIVE IMPAIRMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-12-06 WO disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed