SCHEMBL27460229

SCHEMBL27460229

CC(C)(C)C(O[SiH3])(O[SiH3])c1ccc(CO)cn1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TKT P29401 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL619744 0.77 CCR9 (0.40) PPARGPPARANPC1POLBRAB9A
SCHEMBL17403389 0.76 CA12 (0.33) PTGS2PPARGPPARANPC1POLB
SCHEMBL1743280 0.74 TKT (0.39) PPARGPPARANPC1POLBRAB9A
SCHEMBL24501299 0.70 PPARG (0.31) PPARGPPARANPC1POLBRAB9A
SCHEMBL29695036 0.70 PPARG (0.31) PPARGPPARANPC1POLBRAB9A
SCHEMBL38655572 0.70 CYP2C19 (0.46) PPARGPPARANPC1POLBRAB9A
SCHEMBL29525326 0.70 TRPV4 (0.52) TKT
SCHEMBL132198 0.70 TRPV4 (0.52) TKT
SCHEMBL17583134 0.67 KCNQ3 (0.42) NPC1POLBTKT
SCHEMBL2938892 0.66 PPARG (0.39) PPARGPPARANPC1POLBRAB9A

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
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 — — CN disclosed
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