SCHEMBL22891790

SCHEMBL22891790

Cc1ccc(C(F)(F)F)cc1N(COC(=O)C(C)(C)C)S(=O)(=O)c1cccc(C(=O)OCOC(=O)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
RORC P51449 2/20 0.39
CACNA1B Q00975 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SERPINE1 P05121 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL29670040 1.00 HTT (0.44) HTTHDAC3HDAC11HDAC8HDAC6
SCHEMBL29669997 0.79 NPSR1 (0.49) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL22891786 0.79 NPSR1 (0.49) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL22891783 0.69 TAS2R14 (0.40) HTTMEN1KMT2AGAAHPGD
SCHEMBL19354448 0.68 ADRB2 (0.53) MAPTKMT2ANPSR1KDM4ERAB9A
SCHEMBL22891791 0.67 ADRB2 (0.34) MAPTALDH1A1RAB9A
SCHEMBL19321862 0.67 HTR7 (0.49) HTTMAPTMEN1KMT2AGAA
SCHEMBL7433225 0.65 ADRB2 (0.54) ALDH1A1KDM4E
SCHEMBL30786693 0.64 CES2 (0.61) HDAC3MAPTMEN1KMT2AHPGD
SCHEMBL1994068 0.64 CES2 (0.61) HDAC3MAPTMEN1KMT2AHPGD

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
WO-2021007474-A1 PHENYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS CURA THERAPEUTICS, LLC (US) 2021-01-14 WO disclosed