SCHEMBL8317102

SCHEMBL8317102

CCOC(=O)OC1C(C)CC(C)N1C(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.41
DRD1 P21728 7/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP3A4 P08684 3/20 0.36
HTR1A P08908 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA1B Q00975 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
SCHEMBL8316234 0.89 HSD11B1 (0.33) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317855 0.89 KMT2A (0.34) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8312682 0.83 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8317719 0.82 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8875882 0.82 KMT2A (0.50) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8316663 0.82 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8314373 0.82 MEN1 (0.32) KMT2ASMN1; SMN2MEN1ALDH1A1CYP3A4
SCHEMBL8316358 0.82 KMT2A (0.40) KMT2ASMN1; SMN2MEN1GAATSHR
SCHEMBL8318010 0.81 KMT2A (0.47) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8316443 0.80 KMT2A (0.48) KMT2ASMN1; SMN2MEN1GAADRD1

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