SCHEMBL8027558

SCHEMBL8027558

CC(C)CN(CC(O)C(=O)O)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.53
▸ ACE P12821 7/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ PLA2G5 P39877 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL8027559 1.00 MME (0.53) MMEACESMN1; SMN2PLA2G2APLA2G5
SCHEMBL8026918 0.87 MME (0.43) MMEACESMN1; SMN2PLA2G2APLA2G5
SCHEMBL27464506 0.87 MME (0.43) MMEACESMN1; SMN2PLA2G2APLA2G5
SCHEMBL8026913 0.87 MME (0.43) MMEACESMN1; SMN2PLA2G2APLA2G5
SCHEMBL8033722 0.83 MME (0.56) MMEACESMN1; SMN2CA12CA1
SCHEMBL8033718 0.83 MME (0.56) MMEACESMN1; SMN2CA12CA1
SCHEMBL10660237 0.80 MME (0.37) MMEACESMN1; SMN2PLA2G2APLA2G5
SCHEMBL8028702 0.78 MME (0.61) MMEACESMN1; SMN2CA2
SCHEMBL8453835 0.78 MME (0.61) MMEACESMN1; SMN2CA2
SCHEMBL8028700 0.78 MME (0.61) MMEACESMN1; SMN2CA2

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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