SCHEMBL4046168

SCHEMBL4046168

COc1cccc(Oc2ccc(O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
NR1H2 P55055 1/20 0.59
BAX Q07812 1/20 0.59
AR P10275 1/20 0.59
MTNR1B P49286 4/20 0.58
MTNR1A P48039 3/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
ABL1 P00519 1/20 0.53
ABCB1 P08183 1/20 0.53
BCR P11274 1/20 0.53
PGR P06401 1/20 0.53

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
1,3-Dimethoxybenzene SCHEMBL7736576 0.90 LTA4H (0.64) LTA4HSMN1; SMN2MEN1KMT2AESR2
SCHEMBL3167834 0.89 LTA4H (0.73) LTA4HSMN1; SMN2NR1H2BAXMEN1
SCHEMBL249608 0.89 LTA4H (0.73) LTA4HSMN1; SMN2NR1H2BAXMEN1
SCHEMBL10709191 0.89 SMN1; SMN2 (0.80) LTA4HSMN1; SMN2MTNR1BMTNR1AMEN1
SCHEMBL11049862 0.87 SMN1; SMN2 (0.77) LTA4HSMN1; SMN2MTNR1BMTNR1AMEN1
SCHEMBL4609188 0.86 SMN1; SMN2 (0.58) LTA4HSMN1; SMN2MTNR1BMTNR1AMEN1
SCHEMBL13712768 0.85 ABL1 (0.75) LTA4HSMN1; SMN2MEN1KMT2AESR1
SCHEMBL9588710 0.85 LTA4H (0.82) LTA4HSMN1; SMN2NR1H2BAXMEN1
SCHEMBL4608736 0.85 SMN1; SMN2 (0.73) LTA4HSMN1; SMN2MTNR1BMTNR1AMEN1
SCHEMBL13167638 0.85 SMN1; SMN2 (0.72) LTA4HSMN1; SMN2MTNR1BMTNR1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 EP disclosed