SCHEMBL7707801

SCHEMBL7707801

CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)S(C)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LSS P48449 1/20 0.41
BMP1 P13497 1/20 0.41
MTOR P42345 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NR3C1 P04150 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 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
SCHEMBL7702197 0.86 RIPK1 (0.43) HDAC6
SCHEMBL7705112 0.85 STAT5B (0.46) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL7707821 0.84 AKT1 (0.48) ALDH1A1HDAC3HDAC1HDAC2NCOR2
SCHEMBL12550044 0.84 STAT5B (0.49) KMT2AMEN1ALDH1A1BMP1MTOR
SCHEMBL7705341 0.83 TSHR (0.40) HDAC3HDAC1HDAC2NCOR2
SCHEMBL6338886 0.83 TAS2R14 (0.42) KMT2AMEN1ALDH1A1
SCHEMBL5018764 0.79 LSS (0.44) KMT2AMEN1LSSBMP1MTOR
SCHEMBL2056134 0.78 HDAC3 (0.49) KMT2AMEN1LSSMTORPPARG
SCHEMBL1857874 0.77 HDAC3 (0.55) KMT2AMEN1ALDH1A1LSSPPARG
SCHEMBL30027626 0.76 TSHR (0.39) HDAC3HDAC1HDAC2NCOR2

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-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed