SCHEMBL27640937

SCHEMBL27640937

COC(=O)C(C)c1ccc(O)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.55
FOLH1 Q04609 1/20 0.53
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
MET P08581 2/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 2/20 0.41
ESR1 P03372 1/20 0.40

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
SCHEMBL31614294 1.00 MT-CO2 (0.55) MT-CO2FOLH1PTGS1PTGS2MET
SCHEMBL8459762 0.87 FOLH1 (0.44) MT-CO2FOLH1PTGS1PTGS2MET
SCHEMBL13176797 0.84 MT-CO2 (0.59) MT-CO2PTGS1PTGS2MEN1GAA
SCHEMBL8459765 0.83 FOLH1 (0.50) MT-CO2FOLH1METMEN1GAA
SCHEMBL27823628 0.82 MET (0.47) FOLH1METMEN1GAAKMT2A
SCHEMBL2742620 0.82 ALDH1A1 (0.51) MT-CO2PTGS1PTGS2MEN1GAA
SCHEMBL1202580 0.81 AKR1C3 (0.47) FOLH1PTGS1PTGS2METMEN1
SCHEMBL7050577 0.81 FOLH1 (0.50) MT-CO2FOLH1PTGS1PTGS2KMT2A
SCHEMBL11216724 0.80 ALDH1A1 (0.58) MT-CO2PTGS1PTGS2MEN1GAA
SCHEMBL490875 0.80 TSHR (0.59) MT-CO2FOLH1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1735408-A Receptor function controlling agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-15 CN disclosed