SCHEMBL4405841

SCHEMBL4405841

CCCCc1nnnn1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
KCNH2 Q12809 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
SCHEMBL4408572 0.94 ALDH1A1 (0.45) ALDH1A1POLBCYP1A2CYP2C19TDP1
SCHEMBL4407093 0.93 ALDH1A1 (0.44) ALDH1A1POLBCYP1A2CYP2C19TDP1
SCHEMBL4409109 0.88 ALDH1A1 (0.49) ALDH1A1POLBCYP1A2CYP2C19TDP1
SCHEMBL4408287 0.79 ALDH1A1 (0.51) ALDH1A1POLBCYP1A2CYP2C19TDP1
SCHEMBL1779637 0.78 ALDH1A1 (0.47) ALDH1A1POLBCYP1A2CYP2C19TDP1
SCHEMBL10671615 0.78 ALDH1A1 (0.41) ALDH1A1POLBCYP1A2CYP2C19DAGLA
SCHEMBL4404533 0.74 CNR2 (0.47) ALDH1A1CYP1A2
SCHEMBL4407247 0.74 ALDH1A1 (0.46) ALDH1A1TSHRDAGLA
SCHEMBL7089605 0.74 ALDH1A1 (0.50) ALDH1A1POLBCYP1A2CYP2C19TDP1
SCHEMBL4413524 0.74 ALDH1A1 (0.50) ALDH1A1POLBCYP1A2CYP2C19TDP1

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