SCHEMBL8030190

SCHEMBL8030190

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.53
MME P08473 12/20 0.53
MMEL1 Q495T6 1/20 0.40
PPARG P37231 5/20 0.40
PPARA Q07869 4/20 0.40
PPARD Q03181 1/20 0.38

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
SCHEMBL8523133 1.00 ACE (0.53) ACEMMEMMEL1PPARGPPARA
SCHEMBL8017124 0.95 MME (0.54) ACEMMEMMEL1PPARGPPARA
SCHEMBL8027621 0.91 MME (0.65) ACEMMEMMEL1PPARGPPARA
SCHEMBL8523126 0.91 MME (0.65) ACEMMEMMEL1PPARGPPARA
SCHEMBL8027626 0.91 MME (0.65) ACEMMEMMEL1PPARGPPARA
SCHEMBL8027099 0.90 MME (0.60) ACEMMEMMEL1PPARGPPARD
SCHEMBL8521923 0.90 MME (0.60) ACEMMEMMEL1PPARGPPARD
SCHEMBL8448377 0.89 MME (0.57) ACEMMEPPARGPPARAPPARD
SCHEMBL8030944 0.89 MME (0.57) ACEMMEPPARGPPARAPPARD
SCHEMBL8030949 0.89 MME (0.57) ACEMMEPPARGPPARAPPARD

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