SCHEMBL8313835

SCHEMBL8313835

CCOC(=O)OC1CCCC(C)N1C(=O)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
OPRK1 P41145 3/20 0.40
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL8317246 0.89 KMT2A (0.45) KMT2AATMALDH1A1TSHROPRK1
SCHEMBL8316915 0.86 TSHR (0.46) KMT2AATMALDH1A1TSHROPRK1
SCHEMBL8313570 0.85 ALDH1A1 (0.33) KMT2AATMALDH1A1TSHROPRK1
SCHEMBL8315905 0.84 ALDH1A1 (0.40) KMT2AATMALDH1A1TSHROPRK1
SCHEMBL9539327 0.82 OPRK1 (0.42) KMT2ATSHROPRK1HPGDMEN1
SCHEMBL8318010 0.82 KMT2A (0.47) KMT2AALDH1A1TSHRHPGDGLA
SCHEMBL8318118 0.82 ALDH1A1 (0.45) KMT2AATMALDH1A1TSHRHPGD
SCHEMBL8875764 0.82 KMT2A (0.43) KMT2AATMALDH1A1TSHROPRK1
SCHEMBL8313857 0.82 KMT2A (0.35) KMT2AALDH1A1TSHROPRK1KDM4E
SCHEMBL8316895 0.81 HSD11B1 (0.33) KMT2AALDH1A1TSHRHPGDGLA

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