SCHEMBL7224165

SCHEMBL7224165

CCCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.53
CHRND Q07001 5/20 0.53
CHRNA1 P02708 1/20 0.53
CHRNG P07510 1/20 0.53
CHRNB1 P11230 1/20 0.53
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
TLR2 O60603 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
SCHEMBL6936553 0.93 TLR2 (0.58) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6936560 0.93 TLR2 (0.58) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6243112 0.86 POLB (0.48)
SCHEMBL506862 0.85 TLR2 (0.53) TLR2
SCHEMBL506861 0.85 TLR2 (0.53) TLR2
SCHEMBL7217135 0.83 ITGA4 (0.46)
SCHEMBL6241121 0.83 TLR2 (0.51) TLR2
SCHEMBL6934205 0.80 NAAA (0.56) TLR2
SCHEMBL6241805 0.80 NAAA (0.56) TLR2
SCHEMBL6930474 0.80 NAAA (0.56) TLR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552061-B1 For therapy and prophylaxis of inflammatory skin injuries or diseases AJINOMOTO CO., INC. (JP) 2003-04-22 US disclosed
EP-0955046-A2 Amino acid derivatives and anti-inflammatory agents Ajinomoto Co., Inc. (JP) 1999-11-10 EP disclosed