SCHEMBL14516111

SCHEMBL14516111

CC[C@@H](C)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.77
▸ LMNA P02545 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ POLB P06746 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL13995385 0.87 ALDH1A1 (1.00) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL7904262 0.82 ALDH1A1 (0.70) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL13995392 0.80 ALDH1A1 (0.63) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL13176134 0.80 LMNA (0.68) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL18506963 0.78 POLB (0.68) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL12793245 0.78 POLB (0.88) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL18184510 0.77 POLB (0.69) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL13995367 0.77 LMNA (0.64) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL23283615 0.76 ALDH1A1 (0.50) ALDH1A1LMNAGAAPOLBKDM4E
SCHEMBL12015807 0.76 POLB (0.67) ALDH1A1LMNAGAAPOLBKDM4E

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
WO-2007065683-A1 ARYL ACETIC ACID AND ESTER DERIVATIVES AND THEIR USES AS ANTIINFLAMMATORY NOVARTIS AG (CH) 2007-06-14 — — WO disclosed
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