SCHEMBL23398377

SCHEMBL23398377

CCc1nn(-c2ccccc2C)c(O)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA1 P30542 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MAPT P10636 3/20 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
SCHEMBL23400955 0.92 ALDH1A1 (0.40) KDM4EALDH1A1L3MBTL1DHODHKMT2A
SCHEMBL23400924 0.90 KDM4E (0.38) KDM4EALDH1A1L3MBTL1DHODHPTGDR2
SCHEMBL23401628 0.89 KDM4E (0.41) KDM4EALDH1A1L3MBTL1DHODHKMT2A
SCHEMBL23401420 0.87 KDM4E (0.37) KDM4EALDH1A1L3MBTL1KMT2AHTT
SCHEMBL23401608 0.87 DHODH (0.40) ALDH1A1L3MBTL1DHODHKMT2AHTT
SCHEMBL23399427 0.85 KDM4E (0.40) KDM4EALDH1A1L3MBTL1DHODHKMT2A
SCHEMBL23401046 0.85 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1KMT2AHTT
SCHEMBL23400354 0.85 DHODH (0.39) ALDH1A1DHODHPTGDR2KMT2AHTT
SCHEMBL23401730 0.84 KDM4E (0.40) KDM4EALDH1A1L3MBTL1DHODHUSP2
SCHEMBL23400568 0.83 DHODH (0.38) KDM4EALDH1A1L3MBTL1DHODHKMT2A

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