SCHEMBL4029796

SCHEMBL4029796

COCCNS(=O)(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.49
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APEX1 P27695 1/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 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
SCHEMBL24676691 0.80 MAPT (0.41) MAPTHPGDCYP3A4ALDH1A1KMT2A
SCHEMBL26026737 0.77 ALDH1A1 (0.47) MAPTHPGDALDH1A1KMT2AMEN1
SCHEMBL26026735 0.77 ALDH1A1 (0.43) MAPTHPGDCYP3A4ALDH1A1KMT2A
SCHEMBL6098126 0.76 ALDH1A1 (0.46) MAPTHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL20624898 0.76 MAPT (0.37) MAPTHPGDCYP3A4ALDH1A1KMT2A
SCHEMBL15543574 0.74 TSHR (0.51) MAPTALDH1A1KMT2AMEN1CYP2C19
SCHEMBL26614272 0.73 KMT2A (0.44) MAPTHPGDCYP3A4ALDH1A1KMT2A
SCHEMBL31066733 0.73 TSHR (0.41) MAPTCYP3A4ALDH1A1CYP2C19TP53
SCHEMBL24676789 0.72 PKM (0.55) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL21987295 0.71 ALDH1A1 (0.48) MAPTHPGDCYP3A4ALDH1A1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO disclosed