SCHEMBL7608437

SCHEMBL7608437

COC(=O)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
GAA P10253 2/20 0.52
CYP1A2 P05177 2/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B14 Q9BPX1 1/20 0.51
ALDH1A1 P00352 1/20 0.49
OPRM1 P35372 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
P2RX3 P56373 4/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPARG P37231 2/20 0.44

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
SCHEMBL22453223 0.88 MAPT (0.57) MAPTGAACYP1A2RECQLL3MBTL1
SCHEMBL8780569 0.86 MAPT (0.70) MAPTGAACYP1A2RECQLL3MBTL1
SCHEMBL17456362 0.86 MAPT (0.59) MAPTGAACYP1A2RECQLL3MBTL1
SCHEMBL27111298 0.84 MAPT (0.54) MAPTGAACYP1A2RECQLL3MBTL1
SCHEMBL9853516 0.84 MAPT (0.56) MAPTGAACYP1A2RECQLL3MBTL1
SCHEMBL8780576 0.84 MAPT (0.67) MAPTGAACYP1A2RECQLL3MBTL1
SCHEMBL23188985 0.83 HSD17B14 (0.53) MAPTGAAL3MBTL1HSD17B14ALDH1A1
SCHEMBL7110101 0.83 KDM4E (0.57) MAPTL3MBTL1HSD17B14OPRM1TDP1
SCHEMBL7613351 0.82 MAPT (0.61) MAPTGAACYP1A2RECQLL3MBTL1
SCHEMBL31264286 0.81 MAPT (0.55) MAPTGAACYP1A2RECQLL3MBTL1

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 5 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-B1 Intermediates for herbicidal carboxamide derivatives BASF AG (DE) 2002-06-12 EP disclosed
EP-0806414-A1 Intermediates for herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-11-12 EP disclosed
CN-1019574-B Preparation method with pyrimidine derivatives of desinsection and acaricidal activity ICI PLC (GB) 1992-12-23 CN disclosed
CN-1030412-A PYRIMIDINE DERIVATIVES ICI PLC (GB) 1989-01-18 CN disclosed