SCHEMBL5390213

SCHEMBL5390213

COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.67
▸ HSD17B10 Q99714 5/20 0.65
▸ TP53 P04637 5/20 0.65
▸ HPGD P15428 3/20 0.65
▸ GAA P10253 2/20 0.65
▸ THRB P10828 2/20 0.65
▸ HTT P42858 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ POLB P06746 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ MMP2 P08253 1/20 0.62
▸ MMP9 P14780 1/20 0.62
▸ MMP8 P22894 1/20 0.62
▸ MMP13 P45452 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62

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
SCHEMBL12316854 0.87 MAPT (0.77) MAPTHSD17B10TP53HPGDGAA
SCHEMBL24710856 0.80 THRB (0.70) MAPTHSD17B10TP53HPGDTHRB
SCHEMBL16217094 0.78 MAPT (0.92) MAPTTP53THRBPOLBPTGS2
SCHEMBL2244186 0.78 MAPT (0.92) MAPTTP53THRBPOLBPTGS2
SCHEMBL16217101 0.78 PTGS2 (0.78) MAPTHSD17B10TP53HPGDGAA
SCHEMBL2245332 0.78 MAPT (0.87) MAPTHSD17B10TP53HPGDGAA
SCHEMBL2245479 0.78 MAPT (0.87) MAPTHSD17B10TP53HPGDGAA
SCHEMBL2241942 0.78 NPC1 (0.75) MAPTHSD17B10TP53HPGDGAA
SCHEMBL13464714 0.78 MAPT (1.00) MAPTHSD17B10TP53HPGDGAA
SCHEMBL24710832 0.77 TP53 (0.66) MAPTHSD17B10TP53HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285410-B2 Preparation of (E)- and (Z)-2-methyl-2-butenoic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-23 — — US disclosed
US-7220562-B2 Preparation of (E)- and (Z)-2-methyl-2-butenoic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-22 — — US disclosed
US-7198926-B2 Preparation of (E)- and (Z)-2-methyl-2-butenoic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-03 — — US disclosed
US-20070037264-A1 Using trangenic microorganism having nitrilase and amidase activities to convert (E,Z)-2-methyl-2-butenenitrile into (E and Z)-2-methyl-2-butenoic acids BRAMUCCI MICHAEL G 2007-02-15 — — US disclosed
US-20060115883-A1 Preparation of (E)- and (Z)-2-methyl-2-butenoic acids BRAMUCCI MICHAEL G 2006-06-01 — — US disclosed
WO-2004101513-A2 PREPARATION OF (E)- AND (Z)-2-METHYL-2-BUTENOIC ACIDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-11-25 — — WO disclosed
US-20040224395-A1 Preparation of (E)- and (Z)-2-methyl-2-butenoic acids E. I. DU PONT DE NEMOURS AND COMPANY 2004-11-11 — — US disclosed
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