SCHEMBL4601416

SCHEMBL4601416

C=CC(=O)Oc1c(NC(=O)c2ccc(F)cc2F)cccc1OCCOC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
EGFR P00533 4/20 0.42
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.39
BRPF1 P55201 1/20 0.39
PTPN1 P18031 1/20 0.39
ITK Q08881 2/20 0.39
MRGPRX1 Q96LB2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL4600204 0.83 IRAK4 (0.44) RXFP1KDM4EHPGDEGFRTP53
SCHEMBL4601601 0.74 EGFR (0.47) RXFP1KDM4EHPGDEGFRLMNA
SCHEMBL4601685 0.73 RXFP1 (0.48) RXFP1KDM4EHPGDEGFRITK
SCHEMBL4600130 0.73 EGFR (0.47) RXFP1KDM4EHPGDEGFRLMNA
SCHEMBL4602165 0.72 RXFP1 (0.48) RXFP1KDM4EHPGDEGFRITK
SCHEMBL4602183 0.70 EGFR (0.47) EGFRNPC1
SCHEMBL4600843 0.69 RAB9A (0.50) KDM4EHPGDEGFRLMNANPC1
SCHEMBL4601033 0.69 EGFR (0.44) KDM4EEGFRMRGPRX1
SCHEMBL4601338 0.69 EGFR (0.42) RXFP1KDM4EEGFRITKHTT
SCHEMBL28422486 0.68 KMT2A (0.43) KDM4ETP53LMNASMN1; SMN2HTT

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