SCHEMBL23399405

SCHEMBL23399405

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.33
GCGR P47871 1/20 0.33
DHODH Q02127 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 3/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
APLNR P35414 1/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL23402372 0.92 ALDH1A1 (0.34) ALDH1A1L3MBTL1HSD11B1GCGRDHODH
SCHEMBL23401745 0.89 DHODH (0.38) ALDH1A1L3MBTL1DHODHKDM4EMAPT
SCHEMBL23398425 0.85 KDM4E (0.39) ALDH1A1L3MBTL1HSD11B1DHODHKDM4E
SCHEMBL23402731 0.83 ALDH1A1 (0.38) ALDH1A1HSD11B1DHODHKDM4EMAPT
SCHEMBL23400424 0.83 ALDH1A1 (0.38) ALDH1A1HSD11B1DHODHKDM4EMAPT
SCHEMBL23400924 0.82 KDM4E (0.38) ALDH1A1L3MBTL1HSD11B1DHODHKDM4E
SCHEMBL23401601 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1HSD11B1DHODHKDM4E
SCHEMBL23402633 0.81 POLB (0.38) ALDH1A1L3MBTL1HSD11B1KDM4EMAPT
SCHEMBL23398704 0.81 USP2 (0.37) ALDH1A1HSD11B1DHODHKDM4EMAPT
SCHEMBL23403089 0.80 KMT2A (0.43) ALDH1A1L3MBTL1KDM4EMAPTHSP90AA1

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