SCHEMBL4900753

SCHEMBL4900753

CC(C)(C)c1ccc(S(=O)(=O)NC2Cc3ccc(C=CC(=O)O)cc3C2)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CYP26B1 Q9NR63 5/20 0.38
CYP26A1 O43174 3/20 0.38
NR1H2 P55055 4/20 0.36
TRPV1 Q8NER1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
ESR1 P03372 1/20 0.35
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APOB P04114 1/20 0.35
MTTP P55157 1/20 0.35
NR1H3 Q13133 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
SCHEMBL4911955 1.00 KDM4E (0.43) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782858 0.88 KDM4E (0.44) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782869 0.88 KDM4E (0.44) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782289 0.81 NR1H2 (0.51) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782285 0.81 NR1H2 (0.51) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782875 0.80 NR1H2 (0.42) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4838056 0.79 CA1 (0.45) KDM4EL3MBTL1NR1H2ALDH1A1MEN1
SCHEMBL4783220 0.79 NR1H2 (0.46) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4783212 0.79 NR1H2 (0.46) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4845688 0.79 NR1H2 (0.38) KDM4EHTTNR1H2KMT2ANR1H3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed