SCHEMBL1969808

SCHEMBL1969808

CC(=O)OC(C=O)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 3/20 0.42
PKM P14618 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 1/20 0.42
BLM P54132 1/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.39
AGTR1 P30556 1/20 0.39
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5836381 0.85 KMT2A (0.46) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL27918598 0.78 KMT2A (0.49) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL27647345 0.77 ALDH1A1 (0.41) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL15142435 0.75 KMT2A (0.50) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL6129965 0.75 KMT2A (0.46) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL11118451 0.73 ALDH1A1 (0.51) KMT2AALDH1A1TDP1KDM4EBLM
SCHEMBL4577407 0.73 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL27733971 0.72 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL9567928 0.71 ALDH1A1 (0.36) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL7187367 0.71 KMT2A (0.42) KMT2AALDH1A1MEN1MAPTTDP1

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
EP-2334636-A2 HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2011-06-22 EP disclosed