SCHEMBL11027482

SCHEMBL11027482

Cc1ccc2c(c1)OC(CCl)CO2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.58
FFAR1 O14842 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.40
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 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
SCHEMBL8596072 0.93 CA2 (0.51) CA2RAB9ALMNAGAAALDH1A1
SCHEMBL8282396 0.85 CA2 (0.59) CA2FFAR1RAB9ALMNAGAA
SCHEMBL6984001 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNAGAA
SCHEMBL15870243 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNAGAA
SCHEMBL29481813 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNAGAA
SCHEMBL17272701 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNAGAA
SCHEMBL29444746 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNAGAA
SCHEMBL6984007 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNAGAA
SCHEMBL11025999 0.81 CA2 (0.59) CA2FFAR1RAB9A
SCHEMBL8259889 0.81 CA2 (0.56) CA2FFAR1RAB9ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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