SCHEMBL8028822

SCHEMBL8028822

CC(C)CN(C[C@H](O)C(=O)O)C(=O)N[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 10/20 0.69
▸ ACE P12821 8/20 0.69
▸ PTGS2 P35354 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ PTGES O14684 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ADAM17 P78536 1/20 0.39

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
SCHEMBL8448688 1.00 MME (0.69) MMEACEPTGS2LTA4HANPEP
SCHEMBL8028819 1.00 MME (0.69) MMEACEPTGS2LTA4HANPEP
SCHEMBL8030176 0.92 MME (0.61) MMEACELTA4HANPEPFOLH1
SCHEMBL8456166 0.92 MME (0.61) MMEACELTA4HANPEPFOLH1
SCHEMBL8030181 0.92 MME (0.61) MMEACELTA4HANPEPFOLH1
SCHEMBL8454383 0.90 MME (0.62) MMEACE
SCHEMBL8030967 0.90 MME (0.62) MMEACE
SCHEMBL27446256 0.89 MME (0.71) MMEACEPTGS2
SCHEMBL8452097 0.87 MME (0.62) MMEACEPTGES
SCHEMBL8028603 0.87 MME (0.62) MMEACEPTGES

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
EP-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 — — EP disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 — — EP disclosed
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