SCHEMBL3961688

SCHEMBL3961688

COc1ccc(CNC(Cl)C(C)O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.53
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.49
STAT3 P40763 1/20 0.48
CA2 P00918 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
LDHA P00338 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7893820 0.80 KMT2A (0.67) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL4249926 0.78 CASR (0.52) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL11673049 0.77 ALDH1A1 (0.62) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL9119369 0.76 KMT2A (0.70) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL9781400 0.76 MEN1 (0.70) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL9119354 0.76 KMT2A (0.70) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL8802147 0.76 ALDH1A1 (0.60) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL9781310 0.75 MEN1 (0.68) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL16764313 0.75 MEN1 (0.60) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL4689993 0.75 MEN1 (0.68) MEN1KMT2AALDH1A1POLBKDM4E

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-1784407-A4 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2009-02-11 EP disclosed
EP-1784407-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-05-16 EP disclosed
WO-2006025634-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed