SCHEMBL23399490

SCHEMBL23399490

Cc1ccc(-n2nc(C(C)C)c(CC(C)C)c2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.35
PPARG P37231 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSP90AA1 P07900 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TP53 P04637 5/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL23398486 0.87 PPARA (0.39) PPARAPPARGALDH1A1KCNJ6KCNJ5
SCHEMBL23403071 0.87 P2RX7 (0.40) PPARAALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL23401216 0.85 RAB9A (0.40) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL23399615 0.85 ALDH1A1 (0.38) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL23402471 0.84 TP53 (0.41) PPARAPPARGALDH1A1KCNJ6KCNJ5
SCHEMBL23403081 0.84 KDM4E (0.38) ALDH1A1MEN1KMT2AHSP90AA1KDM4E
SCHEMBL23403496 0.83 ALDH1A1 (0.40) ALDH1A1KCNJ6KCNJ5KCNJ3GAA
SCHEMBL23399925 0.83 GCGR (0.43) PPARAPPARGKMT2AKDM4EMAPK1
SCHEMBL23403213 0.81 KDM4E (0.36) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL23400176 0.80 ALDH1A1 (0.38) PPARAPPARGALDH1A1KCNJ6KCNJ5

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed