SCHEMBL23401481

SCHEMBL23401481

Cc1ccccc1-n1nc(O)c(CC(C)C)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 3/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
KDM4E B2RXH2 3/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
ALPL P05186 1/20 0.33
C5AR1 P21730 1/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL23401696 0.92 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1MAPTSLC16A3
SCHEMBL23398922 0.89 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1MAPTSLC16A3
SCHEMBL23400353 0.87 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1MAPTKDM4E
SCHEMBL23402296 0.85 ALDH1A1 (0.45) ALDH1A1TSHRL3MBTL1MAPTKDM4E
SCHEMBL23400661 0.83 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1MAPTKDM4E
SCHEMBL23398988 0.83 CYP2C9 (0.44) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL23402322 0.83 ALDH1A1 (0.43) ALDH1A1TSHRMAPTKDM4EKMT2A
SCHEMBL23399422 0.82 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1MAPTSLC16A3
SCHEMBL23401853 0.82 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1MAPTKDM4E
SCHEMBL23401787 0.82 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1MAPTSLC16A3

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