SCHEMBL27489673

SCHEMBL27489673

CCOC(=O)C(O)CN(CC(C)C)C(=O)NC(Cc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.67
ACE P12821 9/20 0.67
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
TACR1 P25103 1/20 0.43
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MMP9 P14780 2/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.38
SCN9A Q15858 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL8027482 0.92 MME (0.80) MMEACECTSSCTSKTACR1
SCHEMBL8027261 0.90 MME (0.80) MMEACECTSSCTSKTACR1
SCHEMBL8017444 0.90 MME (0.83) MMEACECTSSCTSKTACR1
SCHEMBL27547831 0.90 MME (0.83) MMEACECTSSCTSKTACR1
SCHEMBL8027294 0.88 MME (0.83) MMEACECTSSCTSKTACR1
SCHEMBL8451438 0.88 MME (0.83) MMEACECTSSCTSKTACR1
SCHEMBL27464096 0.86 MME (0.68) MMEACECTSKTACR1CPA1
SCHEMBL27463687 0.86 MME (0.52) MMEACEPSEN1PSEN2APH1B
SCHEMBL27444759 0.85 MME (0.57) MMEACEMMP9PSEN1PSEN2
SCHEMBL27444756 0.85 MME (0.57) MMEACEMMP9PSEN1PSEN2

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