SCHEMBL27799666

SCHEMBL27799666

Cc1ccc(S(=O)(=O)OCCc2ccc(CC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
PPARA Q07869 3/20 0.40
PPARD Q03181 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 5/20 0.40
CTDSP1 Q9GZU7 2/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPP1 P22413 1/20 0.38
GHSR Q92847 1/20 0.38
MEN1 O00255 2/20 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
SCHEMBL992542 0.85 STAT3 (0.41) STAT3PPARAPPARDCA1CA2
SCHEMBL6906905 0.83 CA1 (0.50) STAT3CA1CA2ALDH1A1ENPP1
SCHEMBL18289524 0.83 CA1 (0.50) STAT3CA1CA2ALDH1A1ENPP1
SCHEMBL8199145 0.80 BCHE (0.54) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL7882874 0.79 CA1 (0.44) STAT3CA1CA2ALDH1A1ESR1
SCHEMBL21524969 0.79 CA1 (0.48) CA1CA2ALDH1A1RECQLMEN1
SCHEMBL4432596 0.79 CA1 (0.49) STAT3CA1CA2ALDH1A1ENPP1
SCHEMBL241683 0.79 CA9 (0.54) CA1CA2ALDH1A1
SCHEMBL9257428 0.79 MAOB (0.49) STAT3CA1CA2ALDH1A1TDP1
SCHEMBL4457891 0.78 BLM (0.47) PPARAALDH1A1TDP1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109081827-A A kind of preparation method and application of bilastine 北京天弘天达医药科技股份有限公司 2018-12-25 CN claimed
CN-103788062-A Bilastine crystal form and preparation method thereof BEIJING BOZE DERUN MEDICAL TECHNOLOGY DEV CO LTD 2014-05-14 CN claimed
CN-109081827-A A kind of preparation method and application of bilastine 北京天弘天达医药科技股份有限公司 2018-12-25 CN disclosed
CN-109081827-A A kind of preparation method and application of bilastine 北京天弘天达医药科技股份有限公司 2018-12-25 CN disclosed
CN-104402773-A Process for the preparation of 2-methyl-2' -phenylpropionic acid derivatives and intermediate compounds YUHAN CORP 2015-03-11 CN disclosed
CN-101952273-B Process for the preparation of 2-methyl-2' -phenylpropionic acid derivatives and intermediate compounds YUHAN CORP 2014-11-12 CN disclosed
CN-103788062-A Bilastine crystal form and preparation method thereof BEIJING BOZE DERUN MEDICAL TECHNOLOGY DEV CO LTD 2014-05-14 CN disclosed
CN-101952273-A Process for the preparation of 2-methyl-2' -phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORP 2011-01-19 CN disclosed