SCHEMBL8313857

SCHEMBL8313857

CCOC(=O)OC1CCC(C2CCCCC2)N1C(=O)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
OPRK1 P41145 2/20 0.34
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
TSHR P16473 1/20 0.32
CASP3 P42574 2/20 0.32
MAPT P10636 1/20 0.32
CCR1 P32246 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31

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) KMT2AGAAALDH1A1POLBMEN1
SCHEMBL8314804 0.87 SIGMAR1 (0.43) KMT2AALDH1A1POLBSMN1; SMN2SIGMAR1
SCHEMBL9220150 0.87 KMT2A (0.44) KMT2AGAAOPRK1OPRM1ALDH1A1
SCHEMBL8314523 0.85 KMT2A (0.38) KMT2AGAAALDH1A1POLBMEN1
SCHEMBL8875468 0.83 KMT2A (0.40) KMT2AGAAALDH1A1POLBMEN1
SCHEMBL8314253 0.83 KMT2A (0.36) KMT2AGAAALDH1A1POLBMEN1
SCHEMBL8313835 0.82 KMT2A (0.42) KMT2AOPRK1OPRM1ALDH1A1MEN1
SCHEMBL9539327 0.80 OPRK1 (0.42) KMT2AOPRK1OPRM1MEN1SMN1; SMN2
SCHEMBL8315795 0.79 CCR1 (0.37) KMT2AGAAALDH1A1POLBMEN1
SCHEMBL8316895 0.77 HSD11B1 (0.33) 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