SCHEMBL4455307

SCHEMBL4455307

C=C(C)C(=O)OCCOc1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PPARA Q07869 11/20 0.54
PPARG P37231 7/20 0.52
PPARD Q03181 5/20 0.52
CHRNA7 P36544 1/20 0.48
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
THRB P10828 1/20 0.46
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2785663 1.00 POLB (0.56) POLBAPEX1HTTTDP1PPARA
SCHEMBL20828630 0.94 POLB (0.57) POLBAPEX1HTTTDP1PPARA
SCHEMBL7751294 0.92 HTT (0.67) POLBAPEX1HTTTDP1PPARA
SCHEMBL13478429 0.92 TDP1 (0.48) POLBAPEX1HTTTDP1PPARA
SCHEMBL9317039 0.89 POLB (0.48) POLBAPEX1HTTTDP1PPARA
SCHEMBL9317035 0.89 POLB (0.48) POLBAPEX1HTTTDP1PPARA
SCHEMBL20828629 0.89 POLB (0.52) POLBAPEX1HTTTDP1PPARA
SCHEMBL5332382 0.89 TDP1 (0.52) POLBAPEX1HTTTDP1PPARA
SCHEMBL5332386 0.89 TDP1 (0.52) POLBAPEX1HTTTDP1PPARA
SCHEMBL18927175 0.87 HTT (0.68) POLBAPEX1HTTTDP1PPARA

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
EP-1839076-B1 YELLOW CHROMOPHORE AGENT COMPOSITION FOR INTRAOCULAR LENSES AND THE THUS OBTAINABLE LENSES PHYSIOL (BE) 2009-04-01 EP claimed
US-6001277-A Liquid-crystal alignment film HITACHI CHEMICAL COMPANY, LTD. (JP) 1999-12-14 US disclosed
US-5543267-A Photo-induced optically anisotropic amorphous film materials from side group polymers AGFA-GEVAERT AG (DE) 1996-08-06 US disclosed