SCHEMBL10757243

SCHEMBL10757243

COc1ccc(C(O)C(=O)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACP3 P15309 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LDHA P00338 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
PAX8 Q06710 1/20 0.45
PTGS2 P35354 3/20 0.45
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
PTGS1 P23219 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4646420 0.85 CES2 (0.45) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL4634271 0.84 TSHR (0.56) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL503627 0.84 TSHR (0.56) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL503628 0.84 TSHR (0.56) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL15485802 0.82 TSHR (0.54) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL1891332 0.82 TSHR (0.54) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL1680972 0.82 TSHR (0.54) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL28652827 0.81 MAPT (0.54) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL9577880 0.81 PTGS2 (0.53) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL5319395 0.80 CES2 (0.48) CA1CA2ACP3L3MBTL1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62289194-A None JP disclosed
JP-S62289194-A PRODUCTION OF PHENYLALANINE OR ITS DERIVATIVE AJINOMOTO CO INC 1987-12-16 JP disclosed