SCHEMBL7521077

SCHEMBL7521077

CC(C)OC(=O)Nc1ccc[c]c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
TUBB4A P04350 1/20 0.37

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
SCHEMBL7255889 0.80 HPGD (0.54) MAOBHPGDALOX15SMN1; SMN2NPC1
SCHEMBL7256712 0.77 GAA (0.56) MAOBHPGDALOX15SMN1; SMN2NPC1
SCHEMBL692795 0.76 ALDH1A1 (0.50) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL11660642 0.75 HPGD (0.53) MAOBHPGDALOX15SMN1; SMN2NPC1
SCHEMBL2531725 0.74 HPGD (0.45) MAOBHPGDALOX15SMN1; SMN2NPC1
SCHEMBL11798134 0.73 NPC1 (0.58) MAOBHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL799896 0.72 SMN1; SMN2 (0.70) MAOBHPGDALOX15SMN1; SMN2NPC1
SCHEMBL11797464 0.71 KMT2A (0.59) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL28138503 0.71 ALDH1A1 (0.52) MAOBSMN1; SMN2HDAC1HDAC2GAA
SCHEMBL8652685 0.71 CA12 (0.56) MAOBHPGDALOX15SMN1; SMN2NPC1

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-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP disclosed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 WO disclosed