SCHEMBL30958397

SCHEMBL30958397

CN[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O.O=COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.61
▸ MMP2 P08253 3/20 0.58
▸ MMP9 P14780 3/20 0.58
▸ CPB1 P15086 1/20 0.54
▸ CPB2 Q96IY4 1/20 0.54
▸ MMP1 P03956 1/20 0.53
▸ MMP3 P08254 1/20 0.53
▸ MMP7 P09237 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52
▸ TGM2 P21980 1/20 0.52
▸ HTT P42858 1/20 0.51

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
SCHEMBL31265517 0.92 FOLH1 (0.69) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL31265519 0.92 FOLH1 (0.69) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL13227705 0.92 FOLH1 (0.69) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL17995299 0.89 FOLH1 (0.64) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL16269961 0.84 SLC1A3 (0.60) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL16269913 0.84 SLC1A3 (0.60) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL16557260 0.83 FOLH1 (0.67) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL22674651 0.83 FOLH1 (0.60) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL25988051 0.83 FOLH1 (0.60) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL25406900 0.81 FOLH1 (0.71) FOLH1MMP2MMP9CPB1CPB2

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-2024094098-A1 COMPOUND FOR DELIVERY SYSTEM AND USE THEREOF 益杰立科(上海)生物科技有限公司 2024-05-10 — — WO disclosed
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