SCHEMBL23398590

SCHEMBL23398590

Cc1cccc(-n2nc(C)c(O)c2CC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
PLK1 P53350 1/20 0.39
RPA1 P27694 1/20 0.39
SPR P35270 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RIPK2 O43353 1/20 0.36
CACNA1H O95180 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL23400173 0.88 ALDH1A1 (0.41) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23400500 0.85 CACNA1H (0.47) ALDH1A1LMNAMAPK1CACNA1H
SCHEMBL23398701 0.85 ALDH1A1 (0.40) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23399376 0.84 RIPK2 (0.49) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23403699 0.84 ALDH1A1 (0.49) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23399125 0.83 ALDH1A1 (0.42) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23403665 0.83 ALDH1A1 (0.38) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23400131 0.83 RPA1 (0.45) ALDH1A1MAPTLMNAL3MBTL1RPA1
SCHEMBL23402394 0.82 ALDH1A1 (0.40) ALDH1A1MAPTLMNAL3MBTL1GAA
SCHEMBL23400426 0.82 ALDH1A1 (0.47) ALDH1A1MAPTLMNAL3MBTL1MAPK1

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