SCHEMBL1709593

SCHEMBL1709593

Nc1c(C(=O)O)cc(C(=O)O)c(N)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
KMT2A Q03164 6/20 0.45
GFER P55789 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
THRB P10828 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 3/20 0.41
RECQL P46063 2/20 0.41
CASP7 P55210 2/20 0.41
USP2 O75604 2/20 0.41
PKM P14618 2/20 0.41
MCL1 Q07820 2/20 0.41
CASP6 P55212 2/20 0.41
ALOX15 P16050 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9383412 0.84 KDM4E (0.50) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL28050604 0.80 KDM4E (0.57) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL28217504 0.78 KDM4E (0.45) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL9259491 0.78 KDM4E (0.55) KDM4EKMT2AGFERRXFP1ALDH1A1
Mellitic Acid SCHEMBL4394065 0.77 ALDH1A1 (0.45) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL1551335 0.77 CASP7 (0.50) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL1708797 0.77 KDM4E (0.37) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL28210490 0.76 CYP1A2 (0.40) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL28397803 0.76 CYP1A2 (0.40) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL4997223 0.76 KDM4E (0.56) KDM4EKMT2AGFERRXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050618-A1 ALDEHYDE REMOVAL MATERIAL Toyobo Co., Ltd. (JP) 2016-08-03 EP disclosed
US-20160214079-A1 ALDEHYDE REMOVING AGENT TOYOBO CO., LTD. (JP) 2016-07-28 US disclosed
US-20150062519-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY INC (JP) 2015-03-05 US disclosed
US-8906474-B2 Alignment film, composition for forming alignment film and liquid crystal display device JAPAN DISPLAY INC. (JP) 2014-12-09 US disclosed
US-20120088040-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE MAGNOLIA WHITE CORPORATION (JP) 2012-04-12 US disclosed