SCHEMBL12477442

SCHEMBL12477442

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CC(C)(O)CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
LAP3 P28838 2/20 0.40
SPHK1 Q9NYA1 2/20 0.38
FDPS P14324 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 2/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CETP P11597 1/20 0.36
HTT P42858 1/20 0.36
UBE2N P61088 1/20 0.36

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
SCHEMBL11050504 0.83 GPR84 (0.43) LMNALAP3SPHK1CYP2D6GMNN
SCHEMBL18595252 0.81 LMNA (0.52) LMNALAP3SPHK1FDPSALDH1A1
SCHEMBL18595200 0.81 LMNA (0.52) LMNALAP3SPHK1FDPSALDH1A1
SCHEMBL29286434 0.80 LMNA (0.50) LMNALAP3SPHK1FDPSCYP2D6
SCHEMBL12477841 0.80 LMNA (0.50) LMNALAP3SPHK1FDPSCYP2D6
SCHEMBL10457247 0.79 LMNA (0.54) LMNASPHK1FDPSALDH1A1BLM
SCHEMBL4024156 0.77 LMNA (0.56) LMNASPHK1FDPSALDH1A1BLM
SCHEMBL5176712 0.76 LMNA (0.50) LMNASPHK1FDPSALDH1A1BLM
SCHEMBL25907082 0.74 LMNA (0.52) LMNASPHK1FDPSALDH1A1TDP1
Sulfuric Acid SCHEMBL29078534 0.73 TP53 (0.50) LMNALAP3SPHK1FDPSTP53

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-2677990-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT OREAL (FR) 2019-05-15 EP claimed
WO-2012113724-A2 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2012-08-30 WO claimed