SCHEMBL2785677

SCHEMBL2785677

NC(=O)[C@H]1CCc2cc(C=O)ccc2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.37
SIRT1 Q96EB6 2/20 0.36
FAAH O00519 8/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
ALDH1A3 P47895 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 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
SCHEMBL2874448 0.87 KDM4E (0.37) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL10674301 0.86 FAAH (0.38) OPRK1FAAHMEN1ALDH1A1GAA
SCHEMBL366956 0.78 KDM1A (0.46) OPRK1ALDH1A1
SCHEMBL2786999 0.78 SIRT1 (0.52) OPRK1SIRT1FAAHSMN1; SMN2
SCHEMBL10680765 0.78 NPC1 (0.41) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL16175613 0.78 OPRK1 (0.57) OPRK1ALDH1A1MAPTKDM4E
SCHEMBL12213073 0.77 CYP4F2 (0.36) FAAHMEN1ALDH1A1GAAMAPT
SCHEMBL7275357 0.77 ALDH1A1 (0.53) FAAHMEN1ALDH1A1MAPTKMT2A
SCHEMBL4794024 0.76 DRD3 (0.42) OPRK1SIRT1FAAHITGB3ITGA2B
SCHEMBL346421 0.75 PLAU (0.52) FAAHALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396300-A1 NEW SUBSTITUTED TETRAHYDRONAPTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2011-12-21 EP disclosed
WO-2010092153-A1 NEW SUBSTITUTED TETRAHYDRONAPTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI-AVENTIS (FR) 2010-08-19 WO disclosed