SCHEMBL25129090

SCHEMBL25129090

CC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.40
▸ NAALAD2 Q9Y3Q0 2/20 0.40
▸ RIMKLA Q8IXN7 1/20 0.40
▸ GGH Q92820 1/20 0.35
▸ BMP1 P13497 2/20 0.35
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GLO1 Q04760 1/20 0.33

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
SCHEMBL24622228 0.88 HPGDS (0.41) FOLH1NAALAD2RIMKLA
SCHEMBL23289285 0.86 PSMB5 (0.42) FOLH1NAALAD2RIMKLAGGHBMP1
SCHEMBL25129089 0.85 FOLH1 (0.38) FOLH1NAALAD2RIMKLAGGHBMP1
SCHEMBL25128949 0.85 FOLH1 (0.38) FOLH1NAALAD2RIMKLAGGHBMP1
SCHEMBL25128148 0.83 PSMB5 (0.47) FOLH1NAALAD2RIMKLABMP1
SCHEMBL24622679 0.77 FOLH1 (0.35) FOLH1NAALAD2RIMKLAGGHBMP1
SCHEMBL26173989 0.76 FOLH1 (0.47) FOLH1NAALAD2RIMKLAGGHBMP1
SCHEMBL468800 0.76 FOLH1 (0.59) FOLH1NAALAD2RIMKLAGGHFNTA
SCHEMBL12648688 0.76 FOLH1 (0.59) FOLH1NAALAD2RIMKLAGGHFNTA
SCHEMBL468801 0.76 FOLH1 (0.59) FOLH1NAALAD2RIMKLAGGHFNTA

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-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 — — WO disclosed
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