SCHEMBL23398573

SCHEMBL23398573

CCc1nn(-c2cccc(C)c2)c(O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RPA1 P27694 1/20 0.41
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
DHFR P00374 1/20 0.40
MAPK1 P28482 1/20 0.39
CTSK P43235 1/20 0.39
MAPK9 P45984 1/20 0.39
DDR2 Q16832 1/20 0.39
RIPK2 O43353 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL23398595 0.88 ALDH1A1 (0.43) ALDH1A1MAPTLMNAL3MBTL1RPA1
SCHEMBL23402852 0.87 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23399965 0.86 ALDH1A1 (0.41) ALDH1A1MAPTLMNAL3MBTL1RPA1
SCHEMBL23401898 0.84 ALDH1A1 (0.42) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23402290 0.84 ALDH1A1 (0.42) ALDH1A1MAPTLMNAL3MBTL1RPA1
SCHEMBL23402131 0.84 ALDH1A1 (0.51) ALDH1A1MAPTLMNAPDE4DL3MBTL1
SCHEMBL23398996 0.83 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23401985 0.83 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23402531 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23403628 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNAL3MBTL1RPA1

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