SCHEMBL4844757

SCHEMBL4844757

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
EPHX2 P34913 1/20 0.39
NR1H2 P55055 3/20 0.36
GRIA2 P42262 2/20 0.35
DNMT1 P26358 1/20 0.35
CASP6 P55212 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP26B1 Q9NR63 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
SCHEMBL4913354 0.88 TBXA2R (0.39) TBXA2REPHX2NR1H2
SCHEMBL4785715 0.87 TBXA2R (0.40) TBXA2RNR1H2GRIA2APOBMTTP
SCHEMBL4781127 0.81 NR1H2 (0.51) TBXA2REPHX2NR1H2GRIA2APOB
SCHEMBL4782109 0.80 NR1H2 (0.42) TBXA2RNR1H2GRIA2DNMT1CASP6
SCHEMBL4838056 0.79 CA1 (0.45) NR1H2L3MBTL1ALDH1A1APOBMTTP
SCHEMBL4845688 0.79 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL4844918 0.78 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL4911955 0.78 KDM4E (0.43) NR1H2TDP1L3MBTL1ALDH1A1CYP26B1
SCHEMBL4900753 0.78 KDM4E (0.43) NR1H2TDP1L3MBTL1ALDH1A1CYP26B1
SCHEMBL4783715 0.77 NR1H2 (0.46) TBXA2RNR1H2GRIA2APOBMTTP

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