SCHEMBL8318010

SCHEMBL8318010

CCOC(=O)OC1CCC(C)N1C(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.44
DRD1 P21728 5/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL8317246 0.93 KMT2A (0.45) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8317256 0.88 ALDH1A1 (0.39) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8312682 0.87 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL9220150 0.85 KMT2A (0.44) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8312908 0.84 KMT2A (0.45) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8317719 0.83 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8313835 0.82 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL8314625 0.82 KMT2A (0.45) KMT2ASMN1; SMN2MEN1GAADRD1
SCHEMBL8318118 0.82 ALDH1A1 (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL8313620 0.81 P2RX7 (0.34) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E

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