SCHEMBL5503502

SCHEMBL5503502

[CH2]c1ccc(C(=O)NCC(OC)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 8/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.44
MLYCD O95822 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6365588 0.88 MAPT (0.59) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL3037389 0.85 MEN1 (0.56) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL1169501 0.85 KMT2A (0.56) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL3601229 0.84 KMT2A (0.68) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL4785110 0.83 TDP1 (0.61) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL18469618 0.83 TDP1 (0.61) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL3056083 0.82 MLYCD (0.63) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL18469616 0.82 TDP1 (0.60) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL18469619 0.82 TDP1 (0.60) MEN1KMT2ATDP1ALDH1A1HPGD
SCHEMBL4785358 0.82 ALDH1A1 (0.57) MEN1KMT2ATDP1ALDH1A1HPGD

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-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO disclosed