SCHEMBL4384097

SCHEMBL4384097

COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)O)c2O)c(O)c1S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.40
CDC25B P30305 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3226016 0.98 MAPT (0.49) MAPTKDM4ELMNAMAPK1HSD17B10
SCHEMBL8428996 0.88 LMNA (0.51) MAPTKDM4ELMNAMAPK1HSD17B10
SCHEMBL871131 0.88 MAPT (0.67) MAPTKDM4ELMNAMAPK1HSD17B10
SCHEMBL7129528 0.88 NPC1 (0.61) MAPTKDM4ELMNAMAPK1HSD17B10
SCHEMBL23795756 0.87 MAPT (0.47) MAPTKDM4ELMNAMAPK1HSD17B10
SCHEMBL717833 0.86 MAPT (0.68) MAPTKDM4ELMNAMAPK1HSD17B10
SCHEMBL8427070 0.86 NPC1 (0.63) MAPTKDM4ELMNAMAPK1HSD17B10
Water SCHEMBL4668603 0.85 MAPT (0.67) MAPTKDM4ELMNAMAPK1HSD17B10
SCHEMBL8429130 0.85 MAPT (0.63) MAPTKDM4ELMNAMAPK1HSD17B10
SCHEMBL2927169 0.85 MAPT (0.49) MAPTKDM4ELMNAMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090297799-A1 ANTIFOULING PRINTING SHEET UBE-NITTO KASEI CO., LTD. (JP) 2009-12-03 US disclosed
EP-1894713-A1 ANTIFOULING PRINTING SHEET UBE-NITTO KASEI CO. LTD. (JP) 2008-03-05 EP disclosed
EP-0437006-B1 Composition that protects dyed hair from fading COLGATE PALMOLIVE CO (US) 1994-12-07 EP disclosed