SCHEMBL23402135

SCHEMBL23402135

CCCCc1nn(-c2ccccc2C)c(CCCC)c1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
HSP90AA1 P07900 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
DHODH Q02127 1/20 0.33
TSHR P16473 1/20 0.33
APLNR P35414 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 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
SCHEMBL23400174 0.96 ALDH1A1 (0.35) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1
SCHEMBL23402771 0.96 ALDH1A1 (0.35) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1
SCHEMBL23403073 0.93 DHODH (0.35) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1
SCHEMBL23401293 0.93 DHODH (0.37) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1
SCHEMBL23398794 0.89 ALDH1A1 (0.37) ALDH1A1L3MBTL1HSD11B1MAPTKDM4E
SCHEMBL23403120 0.89 KDM4E (0.39) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1
SCHEMBL23400118 0.89 KDM4E (0.37) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1
SCHEMBL23402340 0.87 PDE4A (0.37) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1
SCHEMBL23399341 0.87 HTT (0.40) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1
SCHEMBL23400072 0.84 ALDH1A1 (0.36) ALDH1A1HSD11B1MAPTTHRBDHODH

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