SCHEMBL1122783

SCHEMBL1122783

CC(C)(C)c1ccc(CN(CC(=O)O)C(=O)c2cccc(OCCN(Cc3ccccc3)Cc3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
F10 P00742 2/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
LPAR1 Q92633 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
SLC2A1 P11166 1/20 0.42
PPARG P37231 1/20 0.42
ESR1 P03372 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MAPT P10636 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
SCHEMBL1123593 0.91 NR4A1 (0.48) NR4A1NR4A2NR4A3F10KMT2A
SCHEMBL1123052 0.90 NR4A1 (0.45) NR4A1NR4A2NR4A3F10KMT2A
SCHEMBL1123189 0.88 LPAR1 (0.51) F10KMT2AKDM4EALDH1A1LPAR1
SCHEMBL1122983 0.87 NR4A1 (0.46) NR4A1NR4A2NR4A3F10KMT2A
SCHEMBL1123277 0.85 PPARG (0.49) F10KMT2AKDM4EALDH1A1LPAR1
SCHEMBL1122914 0.85 KMT2A (0.51) NR4A2F10KMT2ASLC2A1PPARG
SCHEMBL1123181 0.79 LPAR1 (0.49) F10KMT2ALPAR1SLC2A1PPARG
SCHEMBL1123395 0.79 F10 (0.51) NR4A2F10KMT2ALPAR1PPARG
SCHEMBL1123247 0.78 SLC2A1 (0.47) F10KMT2ALPAR1SLC2A1PPARG
SCHEMBL1122837 0.78 PPARG (0.51) KMT2AKDM4EALDH1A1LPAR1SLC2A1

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