SCHEMBL8317694

SCHEMBL8317694

CCOC(=O)OC1CC(C)CCN1C(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
P2RX7 Q99572 2/20 0.39
TSHR P16473 3/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
CCR3 P51677 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8317448 0.90 KMT2A (0.40) KMT2ASIGMAR1PDE3BPDE3AP2RX7
SCHEMBL9538321 0.87 SIGMAR1 (0.49) KMT2ASIGMAR1PDE3BPDE3AALDH1A1
SCHEMBL8310881 0.87 ALDH1A1 (0.39) KMT2AALDH1A1OPRM1OPRK1TSHR
SCHEMBL8318856 0.85 KMT2A (0.40) KMT2ASIGMAR1PDE3BPDE3AALDH1A1
SCHEMBL8312980 0.84 KMT2A (0.40) KMT2ASIGMAR1PDE3BPDE3AOPRK1
SCHEMBL8316830 0.84 KMT2A (0.43) KMT2ASIGMAR1PDE3BPDE3AALDH1A1
SCHEMBL8317634 0.84 KMT2A (0.40) KMT2ASIGMAR1PDE3BPDE3AOPRK1
SCHEMBL8875647 0.84 TSHR (0.45) KMT2ASIGMAR1ALDH1A1TRPV1P2RX7
SCHEMBL8317692 0.84 POLB (0.35) KMT2AALDH1A1OPRM1OPRK1P2RX7
SCHEMBL8312715 0.83 KMT2A (0.40) KMT2ASIGMAR1PDE3BPDE3AALDH1A1

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