SCHEMBL8017124

SCHEMBL8017124

CC(C)CN(CC(O)C(=O)Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.54
ACE P12821 12/20 0.54
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
ITGA4 P13612 2/20 0.39
ITGB1 P05556 1/20 0.39
PPARD Q03181 1/20 0.39
ITGB7 P26010 1/20 0.39
MMEL1 Q495T6 1/20 0.39

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
SCHEMBL8030190 0.95 ACE (0.53) MMEACEPPARGPPARAPPARD
SCHEMBL8523133 0.95 ACE (0.53) MMEACEPPARGPPARAPPARD
SCHEMBL8027609 0.91 MME (0.66) MMEACEPPARGPPARAPPARD
SCHEMBL9007747 0.90 MME (0.61) MMEACEPPARGPPARDMMEL1
SCHEMBL8027145 0.89 MME (0.67) MMEACEPPARGPPARD
SCHEMBL8017292 0.89 MME (0.58) MMEACEPPARGPPARAPPARD
SCHEMBL8017295 0.89 MME (0.58) MMEACEPPARGPPARAPPARD
SCHEMBL8017192 0.88 MME (0.70) MMEACEPPARGPPARD
SCHEMBL8027626 0.85 MME (0.65) MMEACEPPARGPPARAPPARD
SCHEMBL8523126 0.85 MME (0.65) MMEACEPPARGPPARAPPARD

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