SCHEMBL23398486

SCHEMBL23398486

CCc1c(C(C)C)nn(-c2ccc(C)cc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.39
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PPARG P37231 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GCGR P47871 1/20 0.35
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
MAPT P10636 1/20 0.34
MAPK14 Q16539 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
P2RX7 Q99572 1/20 0.34
RAB9A P51151 2/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 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
SCHEMBL23402471 0.88 TP53 (0.41) PPARATP53SMN1; SMN2PPARGALDH1A1
SCHEMBL23399925 0.87 GCGR (0.43) PPARATP53SMN1; SMN2PPARGGCGR
SCHEMBL23399490 0.87 PPARA (0.35) PPARATP53SMN1; SMN2PPARGALDH1A1
SCHEMBL23399322 0.86 GCGR (0.42) PPARAALDH1A1GCGRKCNJ6KCNJ5
SCHEMBL23402991 0.84 ALDH1A1 (0.40) PPARATP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL23398842 0.83 ALDH1A1 (0.41) TP53ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL23399158 0.81 ALDH1A1 (0.42) TP53SMN1; SMN2ALDH1A1MAPTMAPK14
SCHEMBL23400176 0.81 ALDH1A1 (0.38) PPARATP53SMN1; SMN2PPARGALDH1A1
SCHEMBL23398710 0.80 ALDH1A1 (0.37) PPARATP53SMN1; SMN2PPARGALDH1A1
SCHEMBL23403294 0.80 SMN1; SMN2 (0.40) TP53SMN1; SMN2ALDH1A1MAPTMAPK14

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