SCHEMBL23399205

SCHEMBL23399205

CCCc1nn(-c2ccccc2C)c(CC(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1H O95180 1/20 0.34
HSD11B1 P28845 1/20 0.32
DHODH Q02127 1/20 0.32
MAPT P10636 3/20 0.32
PLK1 P53350 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
APLNR P35414 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL23400118 0.93 KDM4E (0.37) KDM4EALDH1A1L3MBTL1CACNA1HHSD11B1
SCHEMBL23403100 0.90 KDM4E (0.40) KDM4EALDH1A1L3MBTL1CACNA1HHSD11B1
SCHEMBL23401424 0.90 KDM4E (0.39) KDM4EALDH1A1L3MBTL1CACNA1HDHODH
SCHEMBL23400812 0.89 ALDH1A1 (0.40) KDM4EALDH1A1L3MBTL1CACNA1HHSD11B1
SCHEMBL23398794 0.88 ALDH1A1 (0.37) KDM4EALDH1A1L3MBTL1HSD11B1DHODH
SCHEMBL23400072 0.87 ALDH1A1 (0.36) ALDH1A1HSD11B1DHODHMAPTTHRB
SCHEMBL23403120 0.85 KDM4E (0.39) KDM4EALDH1A1L3MBTL1CACNA1HHSD11B1
SCHEMBL23400393 0.84 KDM4E (0.41) KDM4EALDH1A1L3MBTL1CACNA1HDHODH
SCHEMBL23400174 0.84 ALDH1A1 (0.35) KDM4EALDH1A1L3MBTL1HSD11B1DHODH
SCHEMBL23402691 0.82 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1MAPTPLK1

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