SCHEMBL23399987

SCHEMBL23399987

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KCNJ6 P48051 2/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
CTSK P43235 1/20 0.37
RPA1 P27694 1/20 0.36
APLNR P35414 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.35
RIPK2 O43353 1/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
SMO Q99835 1/20 0.34
TP53 P04637 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
SCHEMBL23401767 0.93 ALDH1A1 (0.38) ALDH1A1LMNAMAPTKCNJ6KCNJ5
SCHEMBL23401985 0.90 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKCNJ6KCNJ5
SCHEMBL23399286 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKCNJ6KCNJ5
SCHEMBL23398595 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23401878 0.84 ALDH1A1 (0.36) ALDH1A1LMNAMAPTKCNJ6KCNJ5
SCHEMBL23399017 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23399134 0.83 ALDH1A1 (0.39) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL23403555 0.82 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKCNJ6KCNJ5
SCHEMBL23402218 0.82 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23401495 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKCNJ6KCNJ5

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