SCHEMBL18333403

SCHEMBL18333403

O=C(O)CCC(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 5/20 0.58
CYP1A2 P05177 4/20 0.58
MEN1 O00255 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 2/20 0.57
PTPN7 P35236 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 1/20 0.48
PPARG P37231 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
PDGFRB P09619 2/20 0.47

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
SCHEMBL32685095 1.00 KMT2A (0.58) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL11591533 0.89 KMT2A (0.55) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL378788 0.87 CYP1A2 (0.52) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL8401001 0.86 KMT2A (0.61) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL18333384 0.85 KMT2A (0.57) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL17616870 0.84 KMT2A (0.60) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL11591529 0.84 KMT2A (0.60) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL10379938 0.83 NCEH1 (0.54) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL5029679 0.83 PDGFRB (0.63) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2
SCHEMBL29914018 0.83 PDGFRB (0.63) KMT2AALDH1A1CYP1A2MEN1SMN1; SMN2

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-3112930-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC Corporation (JP) 2017-01-04 EP disclosed
US-20160370626-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-12-22 US disclosed