SCHEMBL11276545

SCHEMBL11276545

CCOC(=O)CNC1=C(C(=O)OCC)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
POLB P06746 1/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
ALOX15 P16050 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 6/20 0.38
GAA P10253 3/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NLRP3 Q96P20 2/20 0.38
PARP1 P09874 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL12777592 0.97 NLRP3 (0.41) PTGS2POLBKDM4EMAPTALOX15
SCHEMBL14752782 0.84 MAPT (0.40) POLBKDM4EMAPTALOX15MEN1
SCHEMBL4492930 0.82 MAPT (0.43) POLBKDM4EMAPTALOX15MEN1
SCHEMBL13712262 0.78 SLC26A6 (0.42) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL8120086 0.78 ALDH1A1 (0.49) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL5657293 0.78 ALDH1A1 (0.44) POLBKDM4EMAPTALOX15MEN1
SCHEMBL13374643 0.78 MAPT (0.42) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL234027 0.77 KDM4E (0.55) POLBKDM4EMAPTALOX15MEN1
SCHEMBL4495971 0.77 MAPT (0.44) POLBKDM4EMAPTALOX15MEN1
SCHEMBL5657803 0.76 ALDH1A1 (0.43) KDM4EMAPTALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315939-A Piperidine derivatives of 4,5-dialkyl-3-hydroxy-pyrrole-2-carboxylic acid esters, pharmaceutical formulations containing these compounds and use in treating cardiac arrhythmias BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed