SCHEMBL8027145

SCHEMBL8027145

CC(C)CN(CC(O)C(=O)Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.67
ACE P12821 12/20 0.67
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
HRH4 Q9H3N8 1/20 0.37
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PIN1 Q13526 1/20 0.37

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
SCHEMBL8451352 0.95 MME (0.68) MMEACECPA1ACE2TACR1
SCHEMBL8028766 0.95 MME (0.68) MMEACECPA1ACE2TACR1
SCHEMBL8017124 0.89 MME (0.54) MMEACEPPARGPPARD
SCHEMBL8017295 0.88 MME (0.58) MMEACEPPARGPPARD
SCHEMBL8017292 0.88 MME (0.58) MMEACEPPARGPPARD
SCHEMBL8017192 0.88 MME (0.70) MMEACECPA1ACE2PPARG
SCHEMBL8027609 0.86 MME (0.66) MMEACEPPARGPPARD
SCHEMBL9007747 0.85 MME (0.61) MMEACECPA1ACE2PPARG
SCHEMBL8030190 0.83 ACE (0.53) MMEACEPPARGPPARD
SCHEMBL8523133 0.83 ACE (0.53) 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