SCHEMBL3905191

SCHEMBL3905191

O=Cc1c(O)c(O)c(C(=O)O)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.60
ERN1 O75460 3/20 0.47
DHODH Q02127 3/20 0.44
PDE10A Q9Y233 1/20 0.44
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
LDHA P00338 4/20 0.41
LDHB P07195 3/20 0.41
ALB P02768 2/20 0.41
THRB P10828 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL17081341 0.84 KMT2A (0.52) PADI4ERN1PDE10ACYP3A4MAPT
SCHEMBL29260803 0.84 DHODH (0.55) DHODHPDE10AMAPTHPGDHSD17B10
SCHEMBL28914736 0.84 PADI4 (0.82) PADI4ERN1KDM4EMEN1ALDH1A1
SCHEMBL28261469 0.80 DHODH (0.52) PADI4DHODHPDE10AMAPTHPGD
SCHEMBL7539071 0.79 KMT2A (0.45) PADI4ERN1PDE10ACYP3A4MAPT
SCHEMBL31039922 0.78 DHODH (0.50) DHODHPDE10AMAPTHPGDHSD17B10
SCHEMBL6450325 0.78 DHODH (0.50) DHODHPDE10AMAPTHPGDHSD17B10
SCHEMBL8576477 0.78 PADI4 (0.79) PADI4ERN1MAPTHPGDHSD17B10
SCHEMBL9309021 0.76 PADI4 (1.00) PADI4ERN1MAPTHPGDHSD17B10
SCHEMBL7537511 0.76 DHODH (0.52) DHODHPDE10ACYP3A4MAPTHPGD

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-2018844-A2 Agent for dying fibres which contain keratin comprising derivatives of naphthaldehyde in combination with CH acidic compounds Henkel AG & Co. KGaA (DE) 2009-01-28 EP claimed
EP-2018844-A2 Agent for dying fibres which contain keratin comprising derivatives of naphthaldehyde in combination with CH acidic compounds Henkel AG & Co. KGaA (DE) 2009-01-28 EP disclosed