SCHEMBL23398595

SCHEMBL23398595

CCCc1nn(-c2cccc(C)c2)c(O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
CTSK P43235 1/20 0.40
RPA1 P27694 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APLNR P35414 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSD11B1 P28845 1/20 0.38
RIPK2 O43353 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
TP53 P04637 1/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL23399965 0.92 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23399017 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23398573 0.88 ALDH1A1 (0.45) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23400003 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23402218 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23401765 0.85 USP2 (0.49) ALDH1A1LMNAMAPTL3MBTL1NPC1
SCHEMBL23401898 0.84 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23401578 0.84 RIPK2 (0.42) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23399987 0.84 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23399538 0.83 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCTSKRPA1

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