SCHEMBL28294562

SCHEMBL28294562

CS(=O)(=O)c1ccc(CCC(=O)CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.58
ALDH1A1 P00352 7/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
F2RL1 P55085 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.44
IDO1 P14902 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL27890820 0.88 CA1 (0.50) ALDH1A1CA1CA2NPSR1F2RL1
SCHEMBL1429021 0.86 CA1 (0.68) ALDH1A1CA1CA2NPSR1MAPT
SCHEMBL28713472 0.84 ALDH1A1 (0.57) MMP12ALDH1A1CA1CA2NPSR1
SCHEMBL28698196 0.83 MMP12 (0.54) MMP12ALDH1A1CA1CA2NPSR1
SCHEMBL7508200 0.79 MMP12 (0.66) MMP12ALDH1A1F2RL1KMT2A
SCHEMBL8072061 0.79 ALDH1A1 (0.57) ALDH1A1CA1CA2NPSR1MAPT
SCHEMBL13055884 0.78 IDO1 (0.57) ALDH1A1CA1CA2NPSR1F2RL1
SCHEMBL7974798 0.77 CA1 (0.47) ALDH1A1CA1CA2NPSR1LMNA
SCHEMBL2653485 0.77 ALDH1A1 (0.64) ALDH1A1CA1CA2NPSR1LMNA
SCHEMBL2862583 0.77 MMP12 (0.68) MMP12ALDH1A1CA2F2RL1MAPT

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
CN-109797174-A A kind of preparation method of florfenicol midbody 上海弈柯莱生物医药科技有限公司 2019-05-24 CN disclosed