SCHEMBL8032035

SCHEMBL8032035

CCCNC(=O)N(C)C(=O)c1cc(O)c(OC)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.40
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
BLM P54132 1/20 0.34
FAAH O00519 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL8038358 0.88 HPGD (0.39) APPALDH1A1HPGD
SCHEMBL8035589 0.82 TRPV1 (0.41) APPLMNAALDH1A1POLBHPGD
SCHEMBL8034976 0.81 NPC1 (0.45) APPALDH1A1HPGD
SCHEMBL8035761 0.81 THRA (0.38) APPALDH1A1HPGDGAACYP1A2
SCHEMBL8034162 0.80 LRRK2 (0.38) APPLMNAALDH1A1POLBHPGD
SCHEMBL8035765 0.79 APP (0.38) APPLMNAALDH1A1HPGDGAA
SCHEMBL8037415 0.79 S1PR1 (0.41) APPACHEALDH1A1POLBHPGD
SCHEMBL8036048 0.79 KDM1A (0.43) APPLMNAACHEALDH1A1HPGD
SCHEMBL8034159 0.77 ALDH1A1 (0.44) LMNAALDH1A1HPGDGAAMAPT
SCHEMBL8041701 0.75 APP (0.38) APPLMNAGAAMAPT

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-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed