SCHEMBL4600672

SCHEMBL4600672

C=CC(=O)Oc1c(OCCOC)cccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.54
FABP4 P15090 2/20 0.54
FABP5 Q01469 2/20 0.54
HDAC8 Q9BY41 2/20 0.45
EGFR P00533 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PTGER1 P34995 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42

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
SCHEMBL4601414 0.80 EGFR (0.44) EGFRALDH1A1L3MBTL1POLBSGMS2
SCHEMBL4600204 0.80 IRAK4 (0.44) HDAC8EGFRALDH1A1MAPTL3MBTL1
SCHEMBL4602183 0.79 EGFR (0.47) EGFRMAPTL3MBTL1SGMS2MRGPRX4
SCHEMBL4601601 0.76 EGFR (0.47) EGFRALDH1A1MAPTGAAKMT2A
SCHEMBL4600130 0.75 EGFR (0.47) EGFRALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL4601218 0.74 MRGPRX4 (0.46) EGFRALDH1A1MRGPRX4KMT2AKDM4E
SCHEMBL4601033 0.73 EGFR (0.44) EGFRTHRBKDM4E
SCHEMBL4600789 0.73 HPGD (0.48) ALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL4600628 0.72 EGFR (0.47) EGFRALDH1A1MAPTL3MBTL1GAA
SCHEMBL4600843 0.71 RAB9A (0.50) EGFRALDH1A1MAPTL3MBTL1POLB

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed