SCHEMBL23402115

SCHEMBL23402115

Cc1ccc(-c2c(CC(C)C)c(O)nn2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT1 P42224 1/20 0.41
LMNA P02545 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL23400293 0.95 CYP2C9 (0.41) MAPTALDH1A1NPC1RAB9ACYP2C9
SCHEMBL23402374 0.93 MAPT (0.44) MAPTNPC1RAB9ACYP2C9CYP2C19
SCHEMBL23398988 0.92 CYP2C9 (0.44) MAPTALDH1A1NPC1RAB9ACYP2C9
SCHEMBL23402474 0.89 ALDH1A1 (0.38) MAPTALDH1A1NPC1RAB9ACYP2C9
SCHEMBL23400148 0.86 RPA1 (0.45) MAPTALDH1A1NPC1RAB9ACYP2C9
SCHEMBL23398950 0.86 ALDH1A1 (0.45) MAPTALDH1A1NPC1RAB9ACYP2C9
SCHEMBL23399398 0.85 CCKAR (0.45) ALDH1A1RAB9ANPSR1ALOX5PTGS1
SCHEMBL23399622 0.85 CYP2C9 (0.44) MAPTALDH1A1NPC1RAB9ACYP2C9
SCHEMBL23401696 0.85 ALDH1A1 (0.38) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL23400194 0.84 L3MBTL1 (0.45) MAPTALDH1A1NPC1RAB9ACYP2C9

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