SCHEMBL8313620

SCHEMBL8313620

CCOC(=O)OC1CCC(C)N1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
NLRP3 Q96P20 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 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
SCHEMBL8315905 0.93 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HRH3GLA
SCHEMBL8317256 0.88 ALDH1A1 (0.39) MEN1KMT2AALDH1A1GLAHPGD
SCHEMBL8316536 0.86 MEN1 (0.32) MEN1KMT2AALDH1A1MAPK1NLRP3
SCHEMBL8312314 0.85 SMN1; SMN2 (0.38) P2RX7MEN1KMT2AALDH1A1GLA
SCHEMBL8314523 0.83 KMT2A (0.38) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8317101 0.82 L3MBTL1 (0.33) MEN1KMT2AALDH1A1MAPK1NLRP3
SCHEMBL8316437 0.81 MEN1 (0.33) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL8318118 0.81 ALDH1A1 (0.45) MEN1KMT2AALDH1A1GLAHPGD
SCHEMBL8318010 0.81 KMT2A (0.47) MEN1KMT2AALDH1A1GLAHPGD
SCHEMBL8875392 0.81 P2RX7 (0.40) P2RX7MEN1KMT2AALDH1A1HRH3

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