SCHEMBL8017192

SCHEMBL8017192

CC(C)CN(CC(O)C(=O)Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.70
ACE P12821 13/20 0.70
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PIN1 Q13526 3/20 0.41
CA2 P00918 1/20 0.40

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
SCHEMBL8447724 0.94 MME (0.69) MMEACECPA1ACE2PPARG
SCHEMBL8017254 0.94 MME (0.69) MMEACECPA1ACE2PPARG
SCHEMBL9007747 0.94 MME (0.61) MMEACECPA1ACE2PPARG
SCHEMBL8017292 0.92 MME (0.58) MMEACEPPARGPPARD
SCHEMBL8017295 0.92 MME (0.58) MMEACEPPARGPPARD
SCHEMBL8027609 0.92 MME (0.66) MMEACEPPARGPPARD
SCHEMBL7572563 0.90 MME (0.58) MMEACECPA1ACE2PIN1
SCHEMBL7572570 0.90 MME (0.58) MMEACECPA1ACE2PIN1
SCHEMBL8027099 0.88 MME (0.60) MMEACEPPARGPPARD
SCHEMBL8521923 0.88 MME (0.60) MMEACEPPARGPPARD

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