SCHEMBL27445684

SCHEMBL27445684

CC(C)CN(CC(O)C(=O)OCc1ccccc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.81
ACE P12821 14/20 0.81
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
TACR1 P25103 1/20 0.48
PTPN1 P18031 1/20 0.46
F2 P00734 1/20 0.45

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
SCHEMBL8029487 1.00 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8032641 1.00 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8027177 1.00 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8026927 1.00 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8016985 1.00 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8030172 0.93 MME (0.70) MMEACECPA1ACE2
SCHEMBL27446261 0.93 MME (0.70) MMEACECPA1ACE2
SCHEMBL8029619 0.93 MME (0.70) MMEACEPTPN1F2
SCHEMBL27441340 0.93 MME (0.69) MMEACECTSLCTSBCTSS
SCHEMBL27441339 0.93 MME (0.69) MMEACECTSLCTSBCTSS

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