SCHEMBL8308770

SCHEMBL8308770

Nc1ccc(OCc2ccco2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
HPGD P15428 4/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
MRGPRX4 Q96LA9 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SYK P43405 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.38

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
SCHEMBL6538693 0.75 GAA (0.53) GAAHPGDRAB9APOLBMAPT
SCHEMBL632895 0.74 MRGPRX4 (0.57) GAARAB9AMAPTMRGPRX4SYK
SCHEMBL8816431 0.74 GAA (1.00) GAAHPGDRAB9AMAPTTDP1
SCHEMBL27957341 0.74 CSNK2A1 (0.44) GAAHPGDRAB9APOLBMAPT
SCHEMBL27897847 0.73 CYP3A4 (0.46) GAAHPGDPOLBMAPTMRGPRX4
SCHEMBL14855083 0.73 IDO1 (0.50) HPGDRAB9AMAPTMRGPRX4TDP1
SCHEMBL1012973 0.73 GAA (0.68) GAAHPGDRAB9APOLBMAPT
SCHEMBL5256800 0.73 GAA (0.42) GAAHPGDRAB9APOLBMAPT
SCHEMBL4028096 0.73 SYK (0.54) GAARAB9AMAPTMRGPRX4TDP1
SCHEMBL8308433 0.73 TDP1 (0.44) GAAHPGDRAB9AMAPTMRGPRX4

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
EP-1000064-A1 COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
WO-1999001455-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-14 WO disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed