SCHEMBL28662691

SCHEMBL28662691

CCCCCC(CC)CS(=O)(=O)OCC(C(N)=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CTRC Q99895 1/20 0.34
▸ ASAH1 Q13510 1/20 0.34
▸ ACER2 Q5QJU3 1/20 0.34

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
SCHEMBL28472270 0.78 PRSS1 (0.49) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1945087 0.76 EPHX1 (0.54) ALDH1A1MMP9MMP8MMP13LMNA
SCHEMBL28295013 0.75 ALDH1A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1CA2
SCHEMBL1404164 0.74 EPHX1 (0.53) ALDH1A1MMP9MMP8MMP13LMNA
SCHEMBL21359023 0.74 EPHX1 (0.53) ALDH1A1MMP9MMP8MMP13LMNA
SCHEMBL7642789 0.74 EPHX1 (0.53) ALDH1A1MMP9MMP8MMP13LMNA
SCHEMBL4555669 0.74 EPHX1 (0.53) ALDH1A1MMP9MMP8MMP13LMNA
SCHEMBL18248508 0.74 EPHX1 (0.53) ALDH1A1MMP9MMP8MMP13LMNA
SCHEMBL8763769 0.74 EPHX1 (0.53) ALDH1A1MMP9MMP8MMP13LMNA
SCHEMBL528414 0.71 EPHX1 (0.56) ALDH1A1CA2MMP9MMP8MMP13

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-113614078-A Compounds, compositions and methods for treating myopia 爱瑞制药公司 2021-11-05 — — CN disclosed
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