SCHEMBL7129669

SCHEMBL7129669

CCOC(=O)c1cc(I)c(OC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.58
HSD17B2 P37059 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SLC29A1 Q99808 3/20 0.50
UBE2N P61088 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL25456063 0.90 CA12 (0.55) BPTFHSD17B2KMT2AMEN1KDM4E
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.89 KMT2A (0.66) HSD17B2KMT2AMEN1KDM4EALDH1A1
SCHEMBL19351166 0.84 HSD17B2 (0.58) HSD17B2KMT2AMEN1KDM4EALDH1A1
SCHEMBL28534372 0.83 TPMT (0.53) BPTFKMT2AMEN1KDM4EALDH1A1
SCHEMBL8351938 0.83 HSD17B2 (0.65) HSD17B2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7120174 0.82 ALDH1A1 (0.81) BPTFHSD17B2KMT2AMEN1KDM4E
SCHEMBL5899536 0.79 HSD17B2 (0.65) HSD17B2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6032945 0.79 HSD17B2 (0.69) HSD17B2KMT2AMEN1KDM4EALDH1A1
SCHEMBL582920 0.78 HSD17B2 (0.68) HSD17B2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7122014 0.78 LMNA (0.58) BPTFKMT2AMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1136198-C Novel benzyl pyrimidines ��������ҩ�ɷ����޹�˾ 2004-01-28 CN disclosed
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
CN-1166831-A Novel benzyl pyrimidines HOFFMANN LA ROCHE (CH) 1997-12-03 CN disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed