SCHEMBL8427946

SCHEMBL8427946

COc1ccc(C(=O)O)c(Oc2ncccn2)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HTT P42858 1/20 0.43
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PDE4D Q08499 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ HPGD P15428 2/20 0.40

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
Benzene SCHEMBL27688092 0.82 MAPT (0.70) MAPTTDP1HTTCYP1A1CYP1A2
SCHEMBL102827 0.81 MAPT (0.72) MAPTTDP1HTTKDM4ECDC25B
Water SCHEMBL9749470 0.79 MAPT (0.70) MAPTTDP1HTTCYP1A1CYP1A2
Hydrochloric Acid SCHEMBL5061862 0.79 MAPT (0.70) MAPTTDP1HTTCYP1A1CYP1A2
SCHEMBL27341170 0.79 MAPT (0.70) MAPTTDP1HTTCYP1A1CYP1A2
SCHEMBL8802603 0.75 MAPK1 (0.46) MAPTTDP1HTTKDM4EALDH1A1
SCHEMBL1434844 0.74 PDE4D (0.60) MAPTTDP1KDM4EPOLBPDE4D
SCHEMBL28133879 0.73 PDE4D (0.62) MAPTTDP1RAB9APDE4DPKM
SCHEMBL5159190 0.73 MAPT (0.62) MAPTTDP1HTTKDM4ECDC25B
SCHEMBL152563 0.72 MAPT (0.59) MAPTTDP1HTTKDM4EPOLB

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
CN-1802910-A Agricultural chemicals preparation containing pyracetic acid UNIV ZHEJIANG FORESTRY (CN) 2006-07-19 — — CN claimed
JP-11302112-A — — None — — JP disclosed
CN-1802910-A Agricultural chemicals preparation containing pyracetic acid UNIV ZHEJIANG FORESTRY (CN) 2006-07-19 — — CN disclosed
JP-H11302112-A PLANT GROWTH REGULATION COMPOSITION KUMIAI CHEM IND CO LTD 1999-11-02 — — JP disclosed
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