SCHEMBL7560366

SCHEMBL7560366

CC(C)Cn1cc2cc(OCc3ccccc3)c(=O)cc-2c(-c2ccccc2)c1N(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.37
PTGER4 P35408 4/20 0.37
PTGER3 P43115 4/20 0.37
PTGER2 P43116 4/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.34
EGFR P00533 1/20 0.34
PTGES O14684 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ABCB1 P08183 2/20 0.33
MCHR1 Q99705 1/20 0.33
GRM2 Q14416 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7005130 0.91 TP53 (0.35) MEN1KMT2ABRD4
SCHEMBL7183643 0.88 TP53 (0.33) KMT2AMCHR1BRD4KDM4E
SCHEMBL7004596 0.85 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2PTPN1
SCHEMBL7003666 0.81 PPARG (0.41) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL7556767 0.81 DPP4 (0.37) BRD4
SCHEMBL7003191 0.77 HPGD (0.41) PTGER1PTGER4PTGER3PTGER2PTPN1
SCHEMBL7004236 0.75 MMP2 (0.43) PTGER1
SCHEMBL7556080 0.74 CRHBP (0.43) PTGER1PTGER4PTGER3PTGER2PTPN1
SCHEMBL7002021 0.73 NR1H4 (0.33) PTPN1PTGESABCB1MCHR1
SCHEMBL5238084 0.69 DPP4 (0.55)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed