SCHEMBL11027474

SCHEMBL11027474

C=C(C)C(=O)OCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.50
EPHX1 P07099 1/20 0.49
TSHR P16473 3/20 0.47
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.43
KCNJ1 P48048 2/20 0.43
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL11027107 0.92 TSHR (0.50) KCNH2EPHX1TSHRMAOBKCNJ1
SCHEMBL10397395 0.88 EPHX1 (0.47) KCNH2EPHX1TSHRPOLBAPEX1
SCHEMBL8733212 0.87 TSHR (0.55) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11024327 0.86 TSHR (0.43) KCNH2EPHX1TSHRPOLBAPEX1
SCHEMBL18373560 0.85 LMNA (0.50) KCNH2TSHRHTTTDP1MAOB
SCHEMBL11025492 0.84 MAOB (0.47) TSHRHTTMAOBRAB9A
SCHEMBL11026197 0.83 TDP1 (0.40) KCNH2EPHX1TSHRPOLBAPEX1
SCHEMBL5445040 0.82 MAOB (0.54) POLBHTTMAOBMAPTRAB9A
SCHEMBL2676535 0.82 TSHR (0.56) KCNH2EPHX1TSHRKCNJ1
SCHEMBL713324 0.82 MAPT (0.60) KCNH2POLBAPEX1HTTTDP1

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-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP claimed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP claimed
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed