SCHEMBL28298885

SCHEMBL28298885

COc1ccc(C(=O)NOC(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.74
MAPT P10636 3/20 0.74
ALDH1A1 P00352 2/20 0.74
POLB P06746 1/20 0.74
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CDK5 Q00535 2/20 0.57
CDK5R1 Q15078 2/20 0.57
KCNK9 Q9NPC2 1/20 0.57
F10 P00742 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGS2 P35354 1/20 0.56
PLK1 P53350 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL13479738 1.00 KMT2A (0.74) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL13604055 0.93 CA1 (0.66) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL5809526 0.86 ALDH1A1 (1.00) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL11146599 0.84 ALDH1A1 (0.96) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL28170494 0.83 POLB (0.79) KMT2AMAPTALDH1A1POLBNPC1
Methyl 4-Methoxybenzoate SCHEMBL28249391 0.83 CA1 (0.84) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL27356016 0.81 KMT2A (0.82) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL4927732 0.81 GAA (0.75) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL28690251 0.81 NPC1 (0.71) KMT2AALDH1A1NPC1RAB9ACES2
SCHEMBL13992565 0.80 POLB (0.53) KMT2AMAPTALDH1A1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105764883-B Thermoplastic polymer composition 美利肯公司 2019-06-04 CN disclosed
CN-105764971-B Thermoplastic polymer composition 美利肯公司 2018-04-06 CN disclosed
CN-105745264-B Thermoplastic polymer composition 美利肯公司 2018-03-13 CN disclosed
CN-105745189-B Thermoplastic polymer composition 美利肯公司 2017-11-21 CN disclosed