SCHEMBL8032604

SCHEMBL8032604

COc1ccc(C[C@H](NC(=O)N(CC(C)C)C[C@H](O)C(=O)O)C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.77
ACE P12821 10/20 0.77
KMT2A Q03164 1/20 0.49
FPR2 P25090 1/20 0.49
CA2 P00918 1/20 0.47
LDHA P00338 1/20 0.47

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
SCHEMBL8032597 1.00 MME (0.77) MMEACEKMT2AFPR2CA2
SCHEMBL8030498 0.97 MME (0.82) MMEACEKMT2AFPR2CA2
SCHEMBL8030497 0.97 MME (0.82) MMEACEKMT2AFPR2CA2
SCHEMBL8027491 0.91 MME (0.65) MMEACEKMT2AFPR2CA2
SCHEMBL8027487 0.91 MME (0.65) MMEACEKMT2AFPR2CA2
SCHEMBL8017601 0.91 MME (0.79) MMEACE
SCHEMBL8033709 0.87 MME (1.00) MMEACE
SCHEMBL8027556 0.87 MME (0.82) MMEACE
SCHEMBL8027553 0.87 MME (0.82) MMEACE
SCHEMBL8033705 0.87 MME (1.00) MMEACE

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