SCHEMBL16401217

SCHEMBL16401217

C[C@@H](CCCc1ccccc1)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.51
NAAA Q02083 7/20 0.50
IL6ST P40189 1/20 0.43
FAAH O00519 4/20 0.42
IDH1 O75874 5/20 0.40
ACE P12821 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
SCHEMBL28895898 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL15587060 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL16401218 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL357656 0.90 PPARA (0.50) PPARANAAAIL6STFAAHIDH1
SCHEMBL22552723 0.90 PPARA (0.59) PPARANAAAIL6STIDH1ACE
SCHEMBL357655 0.90 PPARA (0.50) PPARANAAAIL6STFAAHIDH1
SCHEMBL20820036 0.90 PPARA (0.59) PPARANAAAIL6STIDH1ACE
SCHEMBL20825575 0.90 PPARA (0.59) PPARANAAAIL6STIDH1ACE
SCHEMBL22552990 0.90 PPARA (0.59) PPARANAAAIL6STIDH1ACE
SCHEMBL28900400 0.90 PPARA (0.59) PPARANAAAIL6STIDH1ACE

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-3021879-A2 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH Cayman Chemical Company, Incorporated (US) 2016-05-25 EP disclosed
WO-2015009991-A2 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH CAYMAN CHEMICAL COMPANY, INC. (US) 2015-01-22 WO disclosed