SCHEMBL27464505

SCHEMBL27464505

CCOC(=O)C(O)CN(CC(C)C)C(=O)NC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.44
▸ ACE P12821 7/20 0.44
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ METAP2 P50579 3/20 0.35
▸ METAP1 P53582 3/20 0.35
▸ LPAR1 Q92633 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL8027297 1.00 MME (0.44) MMEACEKDM4EALDH1A1TSHR
SCHEMBL8027302 1.00 MME (0.44) MMEACEKDM4EALDH1A1TSHR
SCHEMBL8033718 0.86 MME (0.56) MMEACEKDM4EALDH1A1LPAR1
SCHEMBL8033722 0.86 MME (0.56) MMEACEKDM4EALDH1A1LPAR1
SCHEMBL27464506 0.86 MME (0.43) MMEACEALDH1A1SMN1; SMN2
SCHEMBL8026913 0.86 MME (0.43) MMEACEALDH1A1SMN1; SMN2
SCHEMBL8026918 0.86 MME (0.43) MMEACEALDH1A1SMN1; SMN2
SCHEMBL8027105 0.83 MME (0.49) MMEACEKDM4EALDH1A1CA2
SCHEMBL8027100 0.83 MME (0.49) MMEACEKDM4EALDH1A1CA2
SCHEMBL8451445 0.78 MME (0.36) MMEACEKDM4EALDH1A1

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
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 — — CN disclosed
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