SCHEMBL5283963

SCHEMBL5283963

Cc1ccc(OC(C)Oc2ccccc2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10894445 0.83 TDP1 (0.56) TDP1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL542873 0.81 KDM4E (0.50) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL3395724 0.79 MEN1 (0.46) SMN1; SMN2MEN1KMT2ADRD2DRD4
SCHEMBL9770385 0.79 KDM4E (0.46) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL8438371 0.78 CYP1A2 (0.52) TDP1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL12960634 0.77 KMT2A (0.52) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL10153872 0.77 TDP1 (0.62) TDP1SMN1; SMN2MEN1KMT2AMAPT
Bicarbonate SCHEMBL3270191 0.77 GAA (0.52) TDP1MEN1KMT2AGAACYP1A2
Methylamine SCHEMBL10763289 0.77 KDM4E (0.47) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL10891931 0.76 HPGD (0.44) MEN1KMT2AGAACYP1A2CYP2C9

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
WO-2006138653-A9 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORP (US) 2007-03-01 WO disclosed
WO-2006138653-A1 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORPORATION (US) 2006-12-28 WO disclosed