SCHEMBL9819014

SCHEMBL9819014

C[C@H](CBr)Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTR2A P28223 6/20 0.39
KCNH2 Q12809 6/20 0.39
HSP90AA1 P07900 1/20 0.38
PNMT P11086 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL9819125 0.84 HTR2A (0.40) SLC6A4KDM4ELMNAHTR2AKCNH2
SCHEMBL9818894 0.84 HTR2A (0.40) SLC6A4KDM4ELMNAHTR2AKCNH2
SCHEMBL9819073 0.81 PRKAB2 (0.47) SLC6A4PPARGPPARAKDM4EALDH1A1
SCHEMBL13540952 0.81 SLC6A4 (0.43) SLC6A4PPARGPPARAKDM4EALDH1A1
SCHEMBL10900497 0.79 SIGMAR1 (0.47) SLC6A4PPARGPPARA
SCHEMBL15707806 0.79 SLC6A4 (0.43) SLC6A4PPARGPPARAKDM4EALDH1A1
SCHEMBL9255317 0.78 ALDH1A1 (0.47) SLC6A4PPARGPPARAKDM4EALDH1A1
SCHEMBL23357209 0.77 FFAR1 (0.53) SLC6A4PPARGPPARAKDM4EALDH1A1
SCHEMBL9818834 0.77 FFAR1 (0.53) SLC6A4PPARGPPARAKDM4EALDH1A1
SCHEMBL28858705 0.76 SLC6A4 (0.44) SLC6A4PPARGPPARAKDM4EALDH1A1

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
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed
US-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed