SCHEMBL6234635

SCHEMBL6234635

CCOC(=O)[C@H](Cc1ccccc1)NCc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ITGA4 P13612 6/20 0.55
▸ ITGB7 P26010 6/20 0.55
▸ MMP8 P22894 1/20 0.50
▸ EGFR P00533 1/20 0.47
▸ ELANE P08246 1/20 0.46
▸ HPRT1 P00492 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TACR1 P25103 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL6238356 0.92 BACE1 (0.51) POLBMAPK1ITGA4ITGB7MMP8
SCHEMBL13915549 0.87 MMP8 (0.56) POLBITGA4ITGB7MMP8EGFR
SCHEMBL1931193 0.87 MMP8 (0.56) POLBITGA4ITGB7MMP8EGFR
SCHEMBL6238689 0.86 PDCD1 (0.44) POLBMAPK1ITGA4ITGB7EGFR
SCHEMBL6242854 0.85 ITGA4 (0.52) POLBMAPK1ITGA4ITGB7
SCHEMBL6234672 0.84 POLB (0.61) POLBMAPK1ITGA4ITGB7PKM
SCHEMBL6240614 0.84 PPID (0.45) POLBMAPK1ITGA4ITGB7
SCHEMBL24925125 0.83 MMP8 (0.57) POLBMMP8EGFRELANEHPRT1
SCHEMBL656070 0.83 MMP8 (0.57) POLBMMP8EGFRELANEHPRT1
SCHEMBL6237911 0.83 POLB (0.57) POLBMAPK1ITGA4ITGB7PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 — — EP disclosed
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
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