SCHEMBL11464365

SCHEMBL11464365

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ GRIA4 P48058 5/20 0.41
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RARB P10826 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 0.96 GRIA4 (0.42) FAAHPTGS2GRIA4TSHRALDH1A1
SCHEMBL11445854 0.92 GRIA4 (0.44) PTGS2GRIA4TSHRALDH1A1LMNA
SCHEMBL11446152 0.87 GRIA4 (0.46) PTGS2GRIA4TSHRALDH1A1LMNA
SCHEMBL11446800 0.86 GRIA4 (0.41) PTGS2GRIA4TSHRALDH1A1LMNA
SCHEMBL11445379 0.86 GRIA4 (0.41) PTGS2GRIA4TSHRALDH1A1LMNA
SCHEMBL11456667 0.84 CYP2C19 (0.43) PTGS2GRIA4TSHRALDH1A1LMNA
SCHEMBL11446336 0.83 PPARG (0.44) PTGS2GRIA4TSHRALDH1A1LMNA
SCHEMBL11445305 0.82 GRIA4 (0.47) PTGS2GRIA4TSHRALDH1A1LMNA
SCHEMBL11447264 0.82 GRIA4 (0.44) PTGS2GRIA4TSHRALDH1A1LMNA
SCHEMBL11445631 0.81 GRIA4 (0.40) PTGS2GRIA4TSHRALDH1A1LMNA

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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