SCHEMBL8317105

SCHEMBL8317105

CCOC(=O)OC1C(C)CCCN1C(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
DRD1 P21728 1/20 0.46
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL8316443 0.94 KMT2A (0.48) KMT2AGAASMN1; SMN2MEN1KDM4E
SCHEMBL8315832 0.89 KMT2A (0.38) KMT2AGAASMN1; SMN2MEN1KDM4E
SCHEMBL8315440 0.89 KMT2A (0.39) KMT2AGAASMN1; SMN2MEN1KDM4E
SCHEMBL9538257 0.84 KMT2A (0.49) KMT2AGAASMN1; SMN2MEN1KDM4E
SCHEMBL8875939 0.83 KMT2A (0.55) KMT2AGAASMN1; SMN2MEN1KDM4E
SCHEMBL8316844 0.83 KMT2A (0.37) KMT2AGAASMN1; SMN2MEN1KDM4E
SCHEMBL8314913 0.83 KMT2A (0.37) KMT2AGAAMEN1KDM4EALDH1A1
SCHEMBL8317467 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL8317229 0.82 KMT2A (0.38) KMT2AGAASMN1; SMN2MEN1KDM4E
SCHEMBL8315952 0.81 KMT2A (0.47) KMT2AGAASMN1; SMN2MEN1KDM4E

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-0501129-B1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1999-07-14 EP disclosed
EP-0501129-A1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1992-09-02 EP disclosed