SCHEMBL28624905

SCHEMBL28624905

COc1cc(-c2ccc(C(F)(F)F)cc2)c2ncc(C(=O)N[C@H](C)CO)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.46
HDAC6 Q9UBN7 3/20 0.46
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
HPGDS O60760 3/20 0.43
TRPV3 Q8NET8 2/20 0.41
SYK P43405 1/20 0.41
AHR P35869 1/20 0.40
PSMD14 O00487 1/20 0.39
STAMBP O95630 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAP4K4 O95819 1/20 0.39
CNR1 P21554 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL30289996 1.00 HDAC4 (0.46) HDAC4HDAC6ALOX5APFEN1HPGDS
SCHEMBL30289971 0.93 HPGDS (0.41) HDAC4HDAC6HPGDS
SCHEMBL30290246 0.93 HPGDS (0.41) HDAC4HDAC6HPGDS
SCHEMBL23796480 0.92 HPGDS (0.51) HDAC4HDAC6HPGDSPSMD14STAMBP
SCHEMBL30301828 0.91 HPGDS (0.43) HDAC4HDAC6ALOX5APFEN1HPGDS
SCHEMBL24800518 0.91 HPGDS (0.43) HDAC4HDAC6ALOX5APFEN1HPGDS
SCHEMBL30301864 0.91 HPGDS (0.43) HDAC4HDAC6ALOX5APFEN1HPGDS
SCHEMBL24800517 0.91 HPGDS (0.43) HDAC4HDAC6ALOX5APFEN1HPGDS
SCHEMBL30301861 0.91 HPGDS (0.43) HDAC4HDAC6ALOX5APFEN1HPGDS
SCHEMBL24800529 0.91 HPGDS (0.44) HDAC4HDAC6ALOX5APFEN1HPGDS

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-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed