SCHEMBL8315832

SCHEMBL8315832

CCOC(=O)OC1C(C)CCCN1C(=O)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.37
OPRK1 P41145 3/20 0.37
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
GLA P06280 1/20 0.35
DRD1 P21728 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8316844 0.94 KMT2A (0.37) KMT2AGAAHPGDOPRK1OPRM1
SCHEMBL8317105 0.89 KMT2A (0.48) KMT2AGAAALDH1A1POLBSMN1; SMN2
SCHEMBL8317467 0.87 ALDH1A1 (0.46) KMT2AHPGDALDH1A1POLBMEN1
SCHEMBL8314913 0.85 KMT2A (0.37) KMT2AGAAHPGDOPRM1ALDH1A1
SCHEMBL9539327 0.84 OPRK1 (0.42) KMT2AHPGDOPRK1OPRM1SMN1; SMN2
SCHEMBL8316443 0.83 KMT2A (0.48) KMT2AGAAHPGDALDH1A1POLB
SCHEMBL8876659 0.83 KMT2A (0.43) KMT2AGAAHPGDOPRK1OPRM1
SCHEMBL8315440 0.83 KMT2A (0.39) KMT2AGAAHPGDALDH1A1POLB
SCHEMBL8310881 0.81 ALDH1A1 (0.39) KMT2AGAAHPGDOPRK1OPRM1
SCHEMBL8316830 0.80 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2MEN1TSHR

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