SCHEMBL1122881

SCHEMBL1122881

COC(=O)CCN(Cc1ccc2ccccc2c1)C(=O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.45
SLC2A1 P11166 1/20 0.45
F10 P00742 2/20 0.44
MEP1B Q16820 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
NR1H3 Q13133 1/20 0.43
KMT2A Q03164 1/20 0.43
LPAR5 Q9H1C0 1/20 0.42
F2 P00734 1/20 0.42
F7 P08709 1/20 0.42

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
SCHEMBL1122385 0.93 PPARG (0.47) LPAR1SLC2A1F10MEP1BHDAC1
SCHEMBL1123465 0.91 SLC2A1 (0.51) LPAR1SLC2A1F10MEP1BHDAC1
SCHEMBL1123244 0.90 LPAR1 (0.52) LPAR1SLC2A1F10MEP1BPPARG
SCHEMBL1122983 0.89 NR4A1 (0.46) LPAR1SLC2A1F10MEP1BHDAC1
SCHEMBL1123395 0.84 F10 (0.51) LPAR1F10MEP1BHDAC1HDAC6
SCHEMBL1122959 0.84 LPAR1 (0.54) LPAR1SLC2A1HDAC1HDAC6LPAR5
SCHEMBL1122692 0.83 LPAR1 (0.55) LPAR1SLC2A1HDAC1HDAC6PPARG
SCHEMBL1122912 0.83 LPAR1 (0.49) LPAR1SLC2A1F10MEP1BPPARG
SCHEMBL1123557 0.83 PTGES (0.52) SLC2A1F10PPARGKMT2A
SCHEMBL1123247 0.83 SLC2A1 (0.47) LPAR1SLC2A1F10MEP1BHDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed