SCHEMBL4408010

SCHEMBL4408010

CCCc1nnnn1CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4404421 0.89 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL4411914 0.87 ALDH1A1 (0.33) ALDH1A1LMNAKMT2A
SCHEMBL4410962 0.84 ALDH1A1 (0.35) ALDH1A1LMNAKMT2A
SCHEMBL4405008 0.82 LMNA (0.33) ALDH1A1LMNAKMT2A
SCHEMBL4408138 0.79 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ACYP1A2
SCHEMBL4412065 0.78 CYP1A2 (0.43) ALDH1A1LMNAKMT2ACYP1A2
SCHEMBL4405626 0.76 CNR2 (0.35)
SCHEMBL4409158 0.74 KMT2A (0.45) ALDH1A1LMNAKMT2A
SCHEMBL4409119 0.73 CNR2 (0.49) ALDH1A1LMNAKMT2ACYP1A2
SCHEMBL4410772 0.73 SLC9A1 (0.41) ALDH1A1LMNAKMT2A

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
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed