SCHEMBL1122959

SCHEMBL1122959

COC(=O)CCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.54
LPAR5 Q9H1C0 10/20 0.54
LTA4H P09960 2/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SLC2A1 P11166 1/20 0.46

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
SCHEMBL1122692 0.95 LPAR1 (0.55) LPAR1LPAR5LTA4HHDAC1HDAC6
SCHEMBL1122952 0.92 LPAR1 (0.53) LPAR1LPAR5LTA4HHDAC1HDAC6
SCHEMBL1123244 0.88 LPAR1 (0.52) LPAR1LPAR5SLC2A1
SCHEMBL1123335 0.88 LPAR1 (0.52) LPAR1LPAR5LTA4HSLC2A1
SCHEMBL1123465 0.84 SLC2A1 (0.51) LPAR1LPAR5LTA4HHDAC1HDAC6
SCHEMBL1122881 0.84 LPAR1 (0.45) LPAR1LPAR5HDAC1HDAC6SLC2A1
SCHEMBL1122983 0.82 NR4A1 (0.46) LPAR1HDAC1HDAC6SLC2A1
SCHEMBL1122949 0.81 FFAR1 (0.52) SLC2A1
SCHEMBL1122912 0.81 LPAR1 (0.49) LPAR1LPAR5SLC2A1
SCHEMBL1122837 0.80 PPARG (0.51) LPAR1LPAR5SLC2A1

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