SCHEMBL8235960

SCHEMBL8235960

COc1cccc(Cc2ccc(OCC(=O)O)cc2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
PTPN1 P18031 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
FFAR1 O14842 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 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
SCHEMBL27950805 0.82 BCHE (0.50) SMN1; SMN2NPC1KDM4EALDH1A1HTR1A
SCHEMBL7776226 0.78 LMNA (0.54) SMN1; SMN2KMT2ALMNANPC1MEN1
SCHEMBL3301381 0.78 ABCB1 (0.60) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL8092420 0.77 KMT2A (0.54) KMT2ANPC1MAPTMEN1KDM4E
SCHEMBL31552456 0.77 SMN1; SMN2 (0.71) POLBSMN1; SMN2KMT2ALMNAL3MBTL1
SCHEMBL6744642 0.76 SMN1; SMN2 (0.70) POLBSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL11434004 0.74 CYP19A1 (0.50) POLBKMT2AMAPTMEN1KDM4E
SCHEMBL6743332 0.74 POLB (0.62) POLBSMN1; SMN2KMT2ALMNAL3MBTL1
SCHEMBL29639215 0.74 KMT2A (0.54) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL991380 0.74 KMT2A (0.54) KMT2ANPC1MEN1KDM4EALDH1A1

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-1044297-A2 SOLID SUPPORT MATERIALS Cambridge Drug Discovery Limited (GB) 2000-10-18 EP disclosed
WO-1999032705-A2 SOLID SUPPORT MATERIALS CAMBRIDGE DRUG DISCOVERY LIMITED (GB) 1999-07-01 WO disclosed