SCHEMBL4018484

SCHEMBL4018484

CCOC(=O)Cc1ccc[nH]1.CCOC(=O)Cc1ccc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 2/20 0.48
CHEK1 O14757 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL4012449 1.00 PKM (0.49) PKMSMN1; SMN2HSD17B10CHEK1ALDH1A1
SCHEMBL1078882 0.83 CYP4F2 (0.51) PKMSMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL4802900 0.81 TSHR (0.45) SMN1; SMN2HSD17B10ALDH1A1LMNAKMT2A
SCHEMBL10813508 0.81 TSHR (0.36) SMN1; SMN2HSD17B10ALDH1A1KMT2ATDP1
SCHEMBL10511460 0.81 ALDH1A1 (0.40) PKMSMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL29225340 0.78 ALDH1A1 (0.64) ALDH1A1LMNAKMT2ATDP1L3MBTL1
SCHEMBL16111244 0.78 KMT2A (0.52) PKMSMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL7963890 0.78 CYP3A4 (0.45) PKMSMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL23500951 0.77 RAB9A (0.49) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10362177 0.76 MAOA (0.36) KMT2ATDP1GAAL3MBTL1KDM4E

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-2009015180-A2 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed