SCHEMBL8317246

SCHEMBL8317246

CCOC(=O)OC1CCCC(C)N1C(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 6/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.42
OPRK1 P41145 2/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DRD1 P21728 2/20 0.39
ALOX15 P16050 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
USP2 O75604 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 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
SCHEMBL8318010 0.93 KMT2A (0.47) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8313835 0.89 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1GLA
SCHEMBL8318118 0.89 ALDH1A1 (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1GLA
SCHEMBL8312682 0.85 KMT2A (0.43) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL9220150 0.83 KMT2A (0.44) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL9538257 0.82 KMT2A (0.49) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8875666 0.82 KMT2A (0.52) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8315905 0.82 ALDH1A1 (0.40) KMT2ASMN1; SMN2MEN1ALDH1A1GLA
SCHEMBL8312908 0.82 KMT2A (0.45) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8316915 0.82 TSHR (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1GLA

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