SCHEMBL23403263

SCHEMBL23403263

CCCc1nn(-c2ccccc2C)c(O)c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HSD11B1 P28845 1/20 0.33
MAPT P10636 3/20 0.33
DHODH Q02127 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
APLNR P35414 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HIF1A Q16665 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
SCHEMBL23401264 0.92 POLB (0.37) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23400573 0.89 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23400424 0.83 ALDH1A1 (0.38) ALDH1A1HSD11B1MAPTDHODHTHRB
SCHEMBL23402731 0.83 ALDH1A1 (0.38) ALDH1A1HSD11B1MAPTDHODHTHRB
SCHEMBL23398879 0.83 KDM4E (0.38) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23401920 0.82 USP2 (0.43) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23398434 0.81 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23398704 0.81 USP2 (0.37) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23402633 0.81 POLB (0.38) ALDH1A1HSD11B1MAPTAPLNRUSP2
SCHEMBL23399634 0.80 HTT (0.43) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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