SCHEMBL1122385

SCHEMBL1122385

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
F10 P00742 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
PPARA Q07869 1/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
LPAR1 Q92633 2/20 0.43
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 1/20 0.42
F2 P00734 1/20 0.42
F7 P08709 1/20 0.42
ACHE P22303 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEP1B Q16820 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL1122881 0.93 LPAR1 (0.45) PPARGF10PPARAHDAC1LPAR1
SCHEMBL1123395 0.90 F10 (0.51) PPARGF10HDAC1HDAC3HDAC2
SCHEMBL1123247 0.89 SLC2A1 (0.47) PPARGF10HDAC1HDAC3HDAC8
SCHEMBL1122912 0.89 LPAR1 (0.49) PPARGF10PPARALPAR1SLC2A1
SCHEMBL1123557 0.89 PTGES (0.52) PPARGF10SLC2A1KMT2ABCHE
SCHEMBL1123394 0.88 KMT2A (0.52) PPARGF10PPARAKMT2A
SCHEMBL1123593 0.87 NR4A1 (0.48) PPARGF10CA12CA1CA2
SCHEMBL1123465 0.84 SLC2A1 (0.51) PPARGF10HDAC1LPAR1SLC2A1
SCHEMBL1122949 0.83 FFAR1 (0.52) PPARGPPARASLC2A1BCHE
SCHEMBL1123244 0.83 LPAR1 (0.52) PPARGF10PPARALPAR1SLC2A1

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