SCHEMBL8780576

SCHEMBL8780576

COC(=O)c1cccc(Oc2cccc(Cl)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.60
CYP1A2 P05177 4/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.47
P2RX3 P56373 5/20 0.47
MAP4K4 O95819 1/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
GRM5 P41594 3/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
HSD17B14 Q9BPX1 1/20 0.43

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
SCHEMBL7613351 0.90 MAPT (0.61) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL8780569 0.86 MAPT (0.70) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL8070042 0.85 MAPT (0.50) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL7608437 0.84 MAPT (0.67) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL8633384 0.83 MAPT (0.59) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL19808829 0.81 L3MBTL1 (0.54) MAPTL3MBTL1CYP1A2P2RX3MAP4K4
SCHEMBL7615977 0.81 MRGPRX4 (0.54) MAPTL3MBTL1MRGPRX4P2RX3SMN1; SMN2
SCHEMBL7528425 0.80 MAPT (1.00) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL17456362 0.77 MAPT (0.59) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL19808845 0.77 L3MBTL1 (0.50) MAPTL3MBTL1CYP1A2P2RX3MAP4K4

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-0806414-A1 Intermediates for herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-11-12 EP claimed
EP-0806414-A1 Intermediates for herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-11-12 EP disclosed