SCHEMBL1122952

SCHEMBL1122952

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.53
LPAR5 Q9H1C0 12/20 0.53
LTA4H P09960 1/20 0.51
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
FFAR1 O14842 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL1123335 0.94 LPAR1 (0.52) LPAR1LPAR5LTA4HFFAR1
SCHEMBL1122959 0.92 LPAR1 (0.54) LPAR1LPAR5LTA4HHDAC1HDAC6
SCHEMBL1122692 0.87 LPAR1 (0.55) LPAR1LPAR5LTA4HHDAC1HDAC6
SCHEMBL1122949 0.86 FFAR1 (0.52) FFAR1
SCHEMBL1122912 0.86 LPAR1 (0.49) LPAR1LPAR5FFAR1
SCHEMBL1123394 0.86 KMT2A (0.52) FFAR1
SCHEMBL1122837 0.84 PPARG (0.51) LPAR1LPAR5FFAR1
SCHEMBL1123395 0.83 F10 (0.51) LPAR1HDAC1HDAC6
SCHEMBL1123247 0.82 SLC2A1 (0.47) LPAR1HDAC1HDAC6
SCHEMBL1123189 0.82 LPAR1 (0.51) LPAR1LPAR5

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