SCHEMBL2774898

SCHEMBL2774898

CC(C)(C)c1cc(-c2nc3ccccc3s2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.55
NOD1 Q9Y239 1/20 0.55
MAPT P10636 11/20 0.51
RAB9A P51151 8/20 0.51
KDM4E B2RXH2 8/20 0.51
NPC1 O15118 6/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
GAA P10253 5/20 0.48
HSD17B10 Q99714 3/20 0.48
POLB P06746 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
APP P05067 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48

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
SCHEMBL1487562 0.84 MAPT (0.48) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL29946134 0.84 MGAM (0.51) NPSR1SMN1; SMN2GAAHSP90AA1
SCHEMBL2177466 0.84 MGAM (0.51) NPSR1SMN1; SMN2GAAHSP90AA1
SCHEMBL2184065 0.83 MAPT (0.47) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL7059138 0.81 MAPT (0.64) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL34465504 0.81 MAPT (0.64) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL10785875 0.81 TNF (0.60) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL7059072 0.80 TNF (0.47) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL17265013 0.80 MAPT (0.67) TNFNOD1MAPTRAB9AKDM4E
SCHEMBL8250064 0.78 MAPT (0.43) TNFNOD1MAPTRAB9AKDM4E

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
WO-2013101624-A1 PRINTABLE MOLDED ARTICLES MADE FROM A POLYOXYMETHYLENE POLYMER COMPOSITION TICONA LLC (US) 2013-07-04 WO disclosed
US-20100221457-A1 OPTICAL COMPENSATION FILM, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY EMPLOYING THE SAME KONICA MINOLTA OPTO, INC. (JP) 2010-09-02 US disclosed
US-7705157-B2 Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts SYMYX SOLUTIONS, INC. (US) 2010-04-27 US disclosed
US-7705157-B2 Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts SYMYX SOLUTIONS, INC. (US) 2010-04-27 US disclosed
US-20100048841-A1 PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS SYMYX SOLUTIONS, INC. (US) 2010-02-25 US disclosed
US-20100048841-A1 PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS SYMYX SOLUTIONS, INC. (US) 2010-02-25 US disclosed