SCHEMBL4895002

SCHEMBL4895002

CC(C)(C)c1cc(C(N)N)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.56
▸ CA1 P00915 2/20 0.56
▸ ALDH1A1 P00352 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ POLB P06746 1/20 0.54
▸ TYR P14679 1/20 0.54
▸ HTT P42858 2/20 0.48
▸ ALOX15 P16050 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HPN P05981 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ GAA P10253 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 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
SCHEMBL11659316 0.84 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8970708 0.84 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8970706 0.83 CA2 (0.52) CA2CA1ALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL30039183 0.83 CA2 (0.52) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8772288 0.81 CA2 (0.61) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL1597366 0.81 CA2 (0.61) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11586001 0.81 CA2 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL284652 0.79 CA2 (0.58) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL1250152 0.79 CYP1A2 (0.62) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL5280803 0.78 GLRA3 (0.48) CA2CA1ALDH1A1SMN1; SMN2POLB

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-2743287-A1 Polyester resin composition, process for producing the same, and polyester film TORAY INDUSTRIES, INC. (JP) 2014-06-18 — — EP disclosed
US-8299158-B2 Polyethylene terephthalate, good color tone, causes no significant viscosity lowering or viscosity rise, and thermal stability; little cyclic compound (oligomer) content TORAY INDUSTRIES, INC. (JP) 2012-10-30 — — US disclosed
US-20080076863-A1 Polyester Resin Composition, Process For Producing The Same , And Polyester Film TORAY INDUSTRIES, INC. (JP) 2008-03-27 — — US disclosed
EP-1767561-A1 POLYESTER RESIN COMPOSITION, PROCESS FOR PRODUCING THE SAME, AND POLYESTER FILM TORAY INDUSTRIES, INC. (JP) 2007-03-28 — — EP disclosed
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