SCHEMBL15978652

SCHEMBL15978652

Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H](C(=O)Cl)N(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ELANE P08246 1/20 0.44
LMNA P02545 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.40
MCL1 Q07820 2/20 0.40
MMP9 P14780 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7347260 0.93 ELANE (0.45) POLBELANELMNACA1CA2
SCHEMBL9075150 0.93 ELANE (0.45) POLBELANELMNACA1CA2
SCHEMBL9075147 0.93 ELANE (0.45) POLBELANELMNACA1CA2
SCHEMBL16256989 0.92 ELANE (0.49) POLBELANELMNACA1CA2
SCHEMBL29510702 0.92 ELANE (0.49) POLBELANELMNACA1CA2
SCHEMBL15978657 0.91 ELANE (0.44) POLBELANELMNACA1CA2
SCHEMBL2569236 0.90 ELANE (0.45) POLBELANELMNACA1CA2
SCHEMBL7408542 0.90 ELANE (0.45) POLBELANELMNACA1CA2
SCHEMBL2569233 0.90 ELANE (0.45) POLBELANELMNACA1CA2
SCHEMBL7301497 0.90 GAA (0.46) POLBELANELMNACA1CA2

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-2014127747-A1 DPP-IV-INHIBITING COMPOUNDS AND INTERMEDIATES THEREOF 成都先导药物开发有限公司 (CN) 2014-08-28 WO disclosed