SCHEMBL23398391

SCHEMBL23398391

CC(C)(C)c1c(O)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
NR4A3 Q92570 1/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RIPK2 O43353 1/20 0.39
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
MITF O75030 1/20 0.38
S1PR4 O95977 1/20 0.38
THRB P10828 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
SCHEMBL23400333 0.84 RAB9A (0.41) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL23398989 0.82 NPC1 (0.47) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL16132362 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPOLBMAPK1ALDH1A1
SCHEMBL15627329 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPOLBMAPK1ALDH1A1
SCHEMBL23398963 0.78 HIF1A (0.44) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL14495381 0.76 MAPK1 (0.59) SMN1; SMN2MAPTMAPK1NPC1RAB9A
SCHEMBL23403086 0.75 MAPK1 (0.42) SMN1; SMN2MAPTPOLBMAPK1ALDH1A1
SCHEMBL19954629 0.75 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPOLBMAPK1ALDH1A1
SCHEMBL820782 0.72 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL23401144 0.71 NR4A3 (0.64) SMN1; SMN2MAPTMAPK1ALDH1A1NR4A3

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