SCHEMBL8596072

SCHEMBL8596072

Cc1ccc2c(c1)OCC(CCl)O2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.51
CA1 P00915 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL11027482 0.93 CA2 (0.58) CA2RAB9ALMNAGAAALDH1A1
SCHEMBL1107087 0.83 CA2 (0.51) CA2RAB9ALMNAGAA
SCHEMBL1107090 0.83 CA2 (0.51) CA2RAB9ALMNAGAA
SCHEMBL8288367 0.83 CA2 (0.51) CA2RAB9ALMNAGAA
SCHEMBL9116625 0.83 CA2 (0.55) CA2CA1RAB9ALMNAGAA
SCHEMBL9117176 0.81 CA2 (0.59) CA2CA1RAB9A
SCHEMBL11222928 0.81 CA2 (0.49) CA2RAB9ALMNAGAAHTT
SCHEMBL12863053 0.78 LMNA (0.49) CA2RAB9ALMNAGAA
SCHEMBL8282396 0.78 CA2 (0.59) CA2RAB9ALMNAGAAALDH1A1
SCHEMBL17815971 0.77 CA2 (0.46) CA2RAB9ALMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565732-B1 BENZODIOXANE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-01-14 EP disclosed
US-5480905-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
EP-0565732-A1 BENZODIOXANE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-10-20 EP disclosed
EP-0068261-B1 N-OXACYCLYL-ALKYLPIPERIDINE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-03 EP disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed