SCHEMBL23399286

SCHEMBL23399286

Cc1cccc(-n2nc(CC(C)C)c(C(C)C)c2O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KCNJ6 P48051 2/20 0.38
KCNJ5 P48544 2/20 0.38
KCNJ3 P48549 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RPA1 P27694 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.36
RIPK2 O43353 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CACNA1H O95180 1/20 0.35
TP53 P04637 1/20 0.35
NPBWR1 P48145 1/20 0.34

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
SCHEMBL23401985 0.88 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23402290 0.86 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23399987 0.86 ALDH1A1 (0.40) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23399099 0.85 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23399790 0.85 CACNA1H (0.43) ALDH1A1LMNAHSD17B10GAAMAPK1
SCHEMBL23401767 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23399964 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNAHSD17B10GAA
SCHEMBL23403119 0.84 RPA1 (0.45) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23401855 0.83 KDM4E (0.37) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23400498 0.83 ALDH1A1 (0.40) ALDH1A1MAPTLMNAKCNJ6KCNJ5

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