SCHEMBL8317474

SCHEMBL8317474

CCOC(=O)OC1CCC(C)CN1C(=O)Cc1c(C)cccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP19A1 P11511 1/20 0.33
CHRM1 P11229 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NLRP3 Q96P20 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL8313747 0.90 ALDH1A1 (0.35) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8314625 0.89 KMT2A (0.45) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8316437 0.89 MEN1 (0.33) KMT2AMEN1ALDH1A1KDM4ECYP19A1
SCHEMBL8313446 0.83 KMT2A (0.37) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317651 0.83 PIK3CD (0.39) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317349 0.82 GAA (0.35) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8318503 0.82 ALDH1A1 (0.34) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317256 0.81 ALDH1A1 (0.39) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8875827 0.81 KMT2A (0.41) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8317561 0.81 CYP3A4 (0.35) KMT2ASMN1; SMN2MEN1GAAALDH1A1

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