SCHEMBL1123052

SCHEMBL1123052

CCOC(=O)CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
F10 P00742 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
LTA4H P09960 1/20 0.41
ESR1 P03372 1/20 0.41
KMT2A Q03164 2/20 0.41
LPAR1 Q92633 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
PIN1 Q13526 1/20 0.40
SLC2A1 P11166 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1123181 0.90 LPAR1 (0.49) F10MAPTLTA4HESR1KMT2A
SCHEMBL1122783 0.90 NR4A1 (0.49) NR4A1NR4A2NR4A3F10MAPT
SCHEMBL1122636 0.88 BCHE (0.50) NR4A2KMT2ASMN1; SMN2MAOBRAB9A
SCHEMBL1123324 0.88 LPAR1 (0.46) F10ESR1KMT2ALPAR1KDM4E
SCHEMBL1123593 0.85 NR4A1 (0.48) NR4A1NR4A2NR4A3F10MAPT
SCHEMBL1122983 0.85 NR4A1 (0.46) NR4A1NR4A2NR4A3F10MAPT
SCHEMBL1123230 0.81 LPAR1 (0.48) LTA4HLPAR1MAOBSLC2A1NPC1
SCHEMBL1122799 0.81 L3MBTL1 (0.53) MAPTLTA4HKMT2ALPAR1ALDH1A1
SCHEMBL1123467 0.79 NPC1 (0.55) NR4A2MAPTTP53KMT2ASMN1; SMN2
SCHEMBL1123189 0.78 LPAR1 (0.51) F10KMT2ALPAR1KDM4EALDH1A1

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