SCHEMBL5326944

SCHEMBL5326944

Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccc(C#N)cc3)c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
MAPT P10636 3/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55
ALDH1A1 P00352 10/20 0.54
HSD17B10 Q99714 8/20 0.54
HPGD P15428 6/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
KMT2A Q03164 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.53
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.48
POLB P06746 2/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL5325062 0.91 KDM4E (0.59) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL5329826 0.89 KDM4E (0.68) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL14346726 0.88 KDM4E (0.56) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL5334050 0.88 BRD4 (0.61) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL5329822 0.88 PKM (0.61) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL5328913 0.88 KDM4E (0.56) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL5361482 0.87 KDM4E (0.61) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL14346737 0.87 KDM4E (0.57) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL5332517 0.86 KDM4E (0.55) KDM4EMAPTSAE1UBA2ALDH1A1
SCHEMBL5327925 0.81 KDM4E (0.56) KDM4EMAPTSAE1UBA2ALDH1A1

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
WO-2007144625-A1 2-OXO-2H-CHROMENE COMPOUNDS ARGENTA DISCOVERY LIMITED (GB) 2007-12-21 WO disclosed
WO-2007144625-A1 2-OXO-2H-CHROMENE COMPOUNDS ARGENTA DISCOVERY LIMITED (GB) 2007-12-21 WO disclosed