SCHEMBL8316437

SCHEMBL8316437

CCOC(=O)OC1CCC(C)CN1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 3/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.32
NLRP3 Q96P20 1/20 0.32
P2RX7 Q99572 1/20 0.31
OPRK1 P41145 2/20 0.31
OPRM1 P35372 1/20 0.31
CYP19A1 P11511 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8313957 0.90 ALDH1A1 (0.33) MEN1KMT2ACYP3A4POLBALDH1A1
SCHEMBL8317474 0.89 KMT2A (0.35) MEN1KMT2AALDH1A1NLRP3CYP19A1
SCHEMBL8317561 0.86 CYP3A4 (0.35) MEN1KMT2ACYP3A4POLBALDH1A1
SCHEMBL8317349 0.84 GAA (0.35) MEN1KMT2APOLBALDH1A1OPRK1
SCHEMBL9536573 0.84 MEN1 (0.43) MEN1KMT2APOLBMAPK1OPRK1
SCHEMBL8314818 0.83 KMT2A (0.37) MEN1KMT2APOLBMAPK1NLRP3
SCHEMBL8317543 0.83 VHL (0.34) MEN1KMT2ACYP3A4POLBALDH1A1
SCHEMBL8314625 0.82 KMT2A (0.45) MEN1KMT2ACYP3A4POLBALDH1A1
SCHEMBL8316253 0.82 CYP3A4 (0.33) MEN1KMT2ACYP3A4POLBALDH1A1
SCHEMBL8313620 0.81 P2RX7 (0.34) MEN1KMT2ACYP3A4POLBALDH1A1

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