SCHEMBL9064206

SCHEMBL9064206

COC(=O)C(C)c1ccc(CBr)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
SLC6A3 Q01959 4/20 0.42
GAA P10253 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL27314658 0.90 MT-CO2 (0.42) MT-CO2PTGS1PTGS2PSEN1PSEN2
SCHEMBL9543631 0.88 MT-CO2 (0.45) MT-CO2PTGS1PTGS2PSEN1PSEN2
SCHEMBL27313584 0.87 MT-CO2 (0.44) MT-CO2PTGS1PTGS2PSEN1PSEN2
SCHEMBL1626214 0.82 SLC6A3 (0.57) MT-CO2PTGS1PTGS2SLC6A3SLC6A2
SCHEMBL17831730 0.82 MT-CO2 (0.40) MT-CO2PTGS1PTGS2PSEN1PSEN2
SCHEMBL9558290 0.82 ALDH1A1 (0.43) MT-CO2PTGS1PTGS2PSEN1PSEN2
SCHEMBL17891802 0.81 MT-CO2 (0.47) MT-CO2PTGS1PTGS2PSEN1PSEN2
SCHEMBL24132792 0.81 PTGS1 (0.40) MT-CO2PTGS1PTGS2PSEN1PSEN2
SCHEMBL9063569 0.80 MT-CO2 (0.55) MT-CO2PTGS1PTGS2SLC6A3SLC6A2
SCHEMBL17891807 0.80 MT-CO2 (0.55) MT-CO2PTGS1PTGS2PSEN1PSEN2

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-0641760-B1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF HISAMITSU PHARMACEUTICAL CO (JP) 1996-11-06 EP disclosed
US-5434292-A Phenylalkanoic acid derivatives, process for producing the same and process for separating optical isomers thereof HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1995-07-18 US disclosed
EP-0641760-A1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF Hisamitsu Pharmaceutical Co., Inc. (JP) 1995-03-08 EP disclosed