SCHEMBL10033231

SCHEMBL10033231

CCCCCCCC(=O)Nc1ccc(OC(=O)c2cc(N)cc(N)c2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
DGAT2 Q96PD7 1/20 0.48
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CNR2 P34972 1/20 0.43
PSMB11 A5LHX3 1/20 0.43
PSMA7 O14818 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMA1 P25786 1/20 0.43
PSMA2 P25787 1/20 0.43

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
SCHEMBL7935161 0.82 L3MBTL1 (0.60) NPC1LMNARAB9ASMN1; SMN2TDP1
SCHEMBL30020929 0.82 L3MBTL1 (0.60) NPC1LMNARAB9ASMN1; SMN2TDP1
SCHEMBL11490638 0.81 HDAC4 (0.50) CNR1HPGDALDH1A1CNR2PSMB11
SCHEMBL10033296 0.76 ALDH1A1 (0.59) ENPP2DGAT2NPC1LMNARAB9A
SCHEMBL2889506 0.74 NPC1 (0.59) ENPP2DGAT2NPC1LMNARAB9A
SCHEMBL9165842 0.74 NPC1 (0.59) ENPP2DGAT2NPC1LMNARAB9A
SCHEMBL3918802 0.73 CA1 (0.66) ENPP2DGAT2NPC1LMNARAB9A
SCHEMBL7774872 0.73 CA1 (0.66) ENPP2DGAT2NPC1LMNARAB9A
SCHEMBL7770155 0.73 CA1 (0.66) ENPP2DGAT2NPC1LMNARAB9A
SCHEMBL3919184 0.73 CA1 (0.66) ENPP2DGAT2NPC1LMNARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012002501-A1 LIQUID CRYSTAL ALIGNMENT TREATMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH THE LIQUID CRYSTAL ALIGNMENT FILM 日産化学工業株式会社 (JP) 2012-01-05 WO disclosed