SCHEMBL5586084

SCHEMBL5586084

CC(C)(C)[Si](C)(C)OCCNc1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HCAR3 P49019 1/20 0.42
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER4 P35408 1/20 0.38
LTA4H P09960 2/20 0.38
HPGD P15428 1/20 0.38
PTPRB P23467 1/20 0.37
RAF1 P04049 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7617139 0.87 POLB (0.55) POLBCA1CA2MAPK1HPGD
SCHEMBL1756999 0.84 PDK1 (0.50) CA1CA2MAPK1TSHRHPGD
SCHEMBL2599179 0.82 MAPT (0.44) ALDH1A1HRH3
SCHEMBL2523541 0.79 ALDH1A1 (0.41) POLBCA1CA2MAPK1HPGD
SCHEMBL1023793 0.79 APP (0.37) CA1CA2MAOA
SCHEMBL1424999 0.79 MAPT (0.34) CA1CA2HRH3
SCHEMBL15919355 0.79 MAPT (0.34) CA1CA2HRH3
SCHEMBL4741957 0.78 ALDH1A1 (0.44) EPHX2NR1H4HPGDALDH1A1
SCHEMBL751536 0.77 HCAR3 (0.60) POLBHCAR3CA1CA2MAPK1
SCHEMBL1022867 0.76 MAPT (0.55) MAPK1HSD17B10HPGDALDH1A1RAB9A

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-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed