SCHEMBL5026445

SCHEMBL5026445

COC(=O)Cc1ccccc1C=CF

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
NFE2L2 Q16236 2/20 0.41
TSHR P16473 1/20 0.39
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
EGFR P00533 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CFD P00746 1/20 0.36
TFEB P19484 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL26075997 0.85 KDM4E (0.43) KDM4ENFE2L2TSHRPTGER4PTGER3
SCHEMBL9775462 0.83 TRPA1 (0.47) KDM4ENFE2L2PTGER4PTGER3PTGER2
SCHEMBL9775463 0.83 TRPA1 (0.47) KDM4ENFE2L2PTGER4PTGER3PTGER2
SCHEMBL4893812 0.81 ALDH1A1 (0.44) KDM4ENFE2L2TSHRCYP4F2CYP4A11
SCHEMBL9011882 0.80 ALDH1A1 (0.43) KDM4ENFE2L2TSHRCYP4F2CYP4A11
SCHEMBL5283277 0.80 KDM4E (0.43) KDM4ENFE2L2TSHRCYP4F2CYP4A11
SCHEMBL5017809 0.80 AKR1B1 (0.52) KDM4EPTGER4PTGER3PTGER2MAPT
SCHEMBL22945868 0.79 KDM4E (0.39) KDM4ENFE2L2TSHRPTGER4PTGER3
SCHEMBL1554320 0.78 KDM4E (0.53) KDM4ETSHRCYP4F2CYP4A11EGFR
SCHEMBL9016430 0.77 USP2 (0.47) KDM4ETSHREGFRSMN1; SMN2ALDH1A1

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-1904504-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2008-04-02 EP disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed