SCHEMBL8030684

SCHEMBL8030684

CC(C)N(CC(O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.62
ACE P12821 11/20 0.62
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CPA1 P15085 2/20 0.50
ACE2 Q9BYF1 2/20 0.50
TACR1 P25103 1/20 0.49
PTPN1 P18031 1/20 0.46
CA2 P00918 1/20 0.46
PIN1 Q13526 3/20 0.44

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
SCHEMBL27462736 0.95 TACR1 (0.55) MMEACECTSLCTSBCTSS
SCHEMBL8016973 0.93 MME (0.53) MMEACECTSLCTSBCTSS
SCHEMBL8027283 0.90 MME (0.75) MMEACECPA1ACE2CA2
SCHEMBL8017170 0.88 MME (0.61) MMEACECTSLCTSBCTSS
SCHEMBL8017182 0.88 MME (0.59) MMEACECTSBCPA1ACE2
SCHEMBL8017176 0.88 MME (0.59) MMEACECTSBCPA1ACE2
SCHEMBL8029487 0.87 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8016985 0.87 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8027177 0.87 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8026927 0.87 MME (0.81) 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 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