SCHEMBL8417320

SCHEMBL8417320

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)O2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.62
ALOX5 P09917 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
PDE4A P27815 1/20 0.42
PDE3A Q14432 1/20 0.42
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL8417362 0.88 TTPA (0.57) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL8418241 0.88 PTGS1 (0.53) TTPAALDH1A1
SCHEMBL7826804 0.84 TTPA (0.54) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL8540817 0.81 TTPA (0.50) TTPAALOX5KMT2AMEN1CACNA1B
SCHEMBL7836352 0.80 TTPA (0.56) TTPAALOX5KMT2AMEN1ALDH1A1
SCHEMBL9312772 0.79 TTPA (0.76) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL7825046 0.79 TTPA (0.56) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL2059270 0.77 TTPA (0.67) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL7825923 0.77 TTPA (0.55) TTPAALOX5KMT2AMEN1PDE4A
SCHEMBL7836231 0.77 TTPA (0.55) TTPAALOX5KMT2AMEN1ALDH1A1

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-5889045-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed