SCHEMBL12635871

SCHEMBL12635871

NCc1ccc(Oc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 1/20 0.52
▸ RAB9A P51151 3/20 0.50
▸ AGXT P21549 1/20 0.48
▸ NCF1 P14598 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ LTA4H P09960 3/20 0.42
▸ LGMN Q99538 1/20 0.42

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
SCHEMBL39888 0.89 LMNA (0.52) RAB9AAGXTNCF1ALDH1A1HTT
SCHEMBL12635598 0.86 ST14 (0.55) ST14RAB9AAGXTALDH1A1HTT
SCHEMBL2351767 0.83 AGXT (0.46) RAB9AAGXTNCF1ALDH1A1HTT
SCHEMBL12635595 0.82 ALDH1A1 (0.51) ST14AGXTNCF1ALDH1A1MAPT
SCHEMBL30440657 0.79 LTA4H (0.66) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL1239752 0.79 MAPT (0.55) RAB9AAGXTNCF1ALDH1A1HTT
SCHEMBL12294725 0.78 HRH3 (0.48) ST14NCF1ALDH1A1HTTMAPT
SCHEMBL2883585 0.77 LTA4H (0.67) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL18415522 0.77 AKR1C3 (0.62) RAB9AALDH1A1HTTMAPTMEN1
SCHEMBL15867084 0.77 MAPK1 (0.57) RAB9AALDH1A1HTTMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 — — WO disclosed
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