SCHEMBL8027609

SCHEMBL8027609

CC(C)CN(CC(O)C(=O)Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.66
ACE P12821 11/20 0.66
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
MMEL1 Q495T6 1/20 0.43
GPR34 Q9UPC5 2/20 0.42
PPARA Q07869 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 0.96 MME (0.58) MMEACEPPARGPPARDPPARA
SCHEMBL8017292 0.96 MME (0.58) MMEACEPPARGPPARDPPARA
SCHEMBL9007747 0.95 MME (0.61) MMEACEPPARGPPARDMMEL1
SCHEMBL8027621 0.94 MME (0.65) MMEACEPPARGPPARDMMEL1
SCHEMBL8523126 0.94 MME (0.65) MMEACEPPARGPPARDMMEL1
SCHEMBL8027626 0.94 MME (0.65) MMEACEPPARGPPARDMMEL1
SCHEMBL7569408 0.92 MME (0.56) MMEACEPPARGPPARDMMEL1
SCHEMBL8017192 0.92 MME (0.70) MMEACEPPARGPPARD
SCHEMBL7569417 0.92 MME (0.56) MMEACEPPARGPPARDMMEL1
SCHEMBL7566393 0.91 MME (0.55) MMEACEPPARGPPARDMMEL1

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