SCHEMBL11445854

SCHEMBL11445854

CCCOC(=O)C[S+]([O-])C(C)c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 7/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ PTGS1 P23219 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ FABP2 P12104 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL11464739 0.94 GRIA4 (0.42) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11464365 0.92 FAAH (0.42) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11446152 0.91 GRIA4 (0.46) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11446800 0.90 GRIA4 (0.41) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11445379 0.90 GRIA4 (0.41) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11456667 0.88 CYP2C19 (0.43) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11446336 0.87 PPARG (0.44) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11445305 0.86 GRIA4 (0.47) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11447264 0.85 GRIA4 (0.44) GRIA4NPSR1PPARGPPARAALDH1A1
SCHEMBL11445631 0.85 GRIA4 (0.40) GRIA4NPSR1PPARGPPARAALDH1A1

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
US-4191776-A ANTITHROMBOTICS, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DE) 1980-03-04 — — US disclosed
US-3993683-A ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-23 — — US disclosed
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