SCHEMBL11835254

SCHEMBL11835254

CCOC(=O)C(O)c1ccc(-c2ccccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ GRIA4 P48058 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11836617 0.87 CA12 (0.42) CA12CA1CA2CA9TDP1
SCHEMBL11847061 0.87 MMP8 (0.39) TDP1MMP8PIN1MEN1NPC1
SCHEMBL11790207 0.85 CASP1 (0.47) GRIA2GRIA4MMP8MEN1KMT2A
SCHEMBL11846077 0.85 MMP8 (0.41) TDP1MMP8PIN1MEN1NPC1
SCHEMBL11836694 0.85 ALDH1A1 (0.45) TDP1MMP8PIN1MEN1NPC1
SCHEMBL11837748 0.85 MAPT (0.49) PPARGPPARAGRIA2GRIA4MEN1
SCHEMBL11839726 0.84 PPARG (0.47) PPARGPPARATDP1GRIA2GRIA4
SCHEMBL11835794 0.84 PTPRC (0.51) TDP1GRIA2GRIA4MEN1KMT2A
SCHEMBL11833508 0.84 PTGS2 (0.49) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL11837622 0.84 PPARG (0.45) PPARGPPARASLC1A3SLC1A2SLC1A1

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
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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