SCHEMBL23401013

SCHEMBL23401013

Cc1ccccc1-c1[nH]n(C)c(=O)c1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TP53 P04637 2/20 0.35
ALOX5 P09917 1/20 0.35
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TDP2 O95551 1/20 0.32

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
SCHEMBL23401270 0.84 MAPT (0.35) BRD4ALDH1A1MAPTHPGDMEN1
SCHEMBL23401252 0.84 MAPT (0.36) BRD4ALDH1A1MAPTHPGDMEN1
SCHEMBL23398478 0.84 KDM4E (0.45) BRD4ALDH1A1MAPTHPGDKDM4E
SCHEMBL23401650 0.83 MAPT (0.37) BRD4ALDH1A1MAPTHPGDMEN1
SCHEMBL23400032 0.83 ALDH1A1 (0.48) BRD4ALDH1A1MAPTHPGDMEN1
SCHEMBL23402078 0.82 MAPT (0.46) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL23401640 0.82 MAPT (0.39) BRD4ALDH1A1MAPTHPGDMEN1
SCHEMBL23402176 0.82 MAPT (0.43) BRD4ALDH1A1MAPTHPGDMEN1
SCHEMBL23399411 0.81 TSHR (0.40) BRD4ALDH1A1KDM4ETP53ALOX5
SCHEMBL23403012 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A

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