SCHEMBL8017292

SCHEMBL8017292

CC(C)CN(CC(O)C(=O)Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.58
ACE P12821 11/20 0.58
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 1/20 0.41
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL8017295 1.00 MME (0.58) MMEACEPPARGPPARDPPARA
SCHEMBL8027609 0.96 MME (0.66) MMEACEPPARGPPARDPPARA
SCHEMBL8030949 0.94 MME (0.57) MMEACEPPARGPPARDPPARA
SCHEMBL8030944 0.94 MME (0.57) MMEACEPPARGPPARDPPARA
SCHEMBL8448377 0.94 MME (0.57) MMEACEPPARGPPARDPPARA
SCHEMBL8017192 0.92 MME (0.70) MMEACEPPARGPPARD
SCHEMBL9007747 0.91 MME (0.61) MMEACEPPARGPPARD
SCHEMBL8027626 0.90 MME (0.65) MMEACEPPARGPPARDPPARA
SCHEMBL8523126 0.90 MME (0.65) MMEACEPPARGPPARDPPARA
SCHEMBL8027621 0.90 MME (0.65) MMEACEPPARGPPARDPPARA

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 3 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
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 CN disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed