SCHEMBL8314253

SCHEMBL8314253

CCOC(=O)OC1CCC(C2CCCCC2)N1C(=O)Cc1c(C)cccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.36
CCR1 P32246 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACE P12821 4/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
NLRP3 Q96P20 1/20 0.33
FFAR2 O15552 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8312908 0.90 KMT2A (0.45) KMT2AGAAALDH1A1MEN1SMN1; SMN2
SCHEMBL8314523 0.89 KMT2A (0.38) KMT2AGAACCR1ALDH1A1MEN1
SCHEMBL9220150 0.86 KMT2A (0.44) KMT2AGAAALDH1A1MEN1SMN1; SMN2
SCHEMBL8313857 0.83 KMT2A (0.35) KMT2AGAACCR1ALDH1A1MEN1
SCHEMBL8317256 0.83 ALDH1A1 (0.39) KMT2AGAAALDH1A1MEN1SMN1; SMN2
SCHEMBL8876096 0.83 KMT2A (0.41) KMT2AGAAALDH1A1MEN1SMN1; SMN2
SCHEMBL8315795 0.82 CCR1 (0.37) KMT2AGAACCR1ALDH1A1MEN1
SCHEMBL8318118 0.81 ALDH1A1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL8314804 0.79 SIGMAR1 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL8316864 0.76 ALDH1A1 (0.38) KMT2AGAAALDH1A1MEN1SMN1; SMN2

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