SCHEMBL7721716

SCHEMBL7721716

CC[C@](CCc1ccccc1)(OS(=O)(=O)NC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA9 Q16790 1/20 0.39
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPRB P23467 2/20 0.39
PTPRC P08575 1/20 0.39
PTPRG P23470 1/20 0.39
ACP1 P24666 1/20 0.39
SLC6A2 P23975 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
CA1 P00915 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PTPRA P18433 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7722455 0.85 ALDH1A1 (0.39) CA12CA7CA14CA9PTPN2
SCHEMBL5674360 0.83 CES1 (0.39) CA12CA7CA14CA9PTPN2
SCHEMBL8165047 0.73 ALDH1A1 (0.47) MEN1KMT2ARIPK1ALDH1A1KDM4E
SCHEMBL11011925 0.72 GRM2 (0.40) CA12CA9CA1RIPK1KDM4E
SCHEMBL1434444 0.70 KMT2A (0.45) MEN1KMT2A
SCHEMBL11016084 0.70 CTBP2 (0.42) ALDH1A1
SCHEMBL585945 0.70 ALDH1A1 (0.47) MEN1KMT2ARIPK1ALDH1A1KDM4E
SCHEMBL18085386 0.70 ALDH1A1 (0.47) MEN1KMT2ARIPK1ALDH1A1KDM4E
SCHEMBL17726949 0.69 ALDH1A1 (0.47) MEN1KMT2ARIPK1ALDH1A1KDM4E
SCHEMBL7713930 0.69 MMP8 (0.58) MEN1KMT2AALDH1A1MAPT

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-6395918-B1 Conversion of a hydroxy group in certain alcohols into a fluorosulfonate ester or a trifluoromethylsulfonate ester LOEWENTHAL HANS JACOB EDGAR (IL) 2002-05-28 US disclosed