SCHEMBL3228504

SCHEMBL3228504

COc1ccc(C(C)OS(C)(=O)=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.39
▸ NNMT P40261 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ OXTR P30559 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ PABPC1 P11940 1/20 0.35

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
SCHEMBL18489379 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18489377 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16510230 0.79 NNMT (0.42) NNMTKMT2AMEN1CHRNA7POLB
SCHEMBL24322112 0.79 SMN1; SMN2 (0.45) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL29515045 0.79 SMN1; SMN2 (0.45) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL5738845 0.76 PTGS1 (0.35) ALDH1A1
SCHEMBL10328715 0.76 MAPK1 (0.50) KDM4EMAPTALDH1A1
SCHEMBL18489349 0.76 MAPK1 (0.50) KDM4EMAPTALDH1A1
SCHEMBL30328009 0.75 TRPV4 (0.40) KCNH2PIK3CA
SCHEMBL2609318 0.75 OXTR (0.46) NNMTKMT2AMEN1CHRNA7KDM4E

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
WO-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 — — WO disclosed
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