SCHEMBL23399014

SCHEMBL23399014

Cc1ccc(-n2nc(CC(C)C)c(O)c2C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
CACNA1H O95180 1/20 0.33
TP53 P04637 5/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ESR1 P03372 1/20 0.32
HSP90AA1 P07900 1/20 0.32
NLRP1 Q9C000 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL23400451 0.87 PDE4A (0.38) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL23401328 0.87 CACNA1H (0.41) HPGDKDM4EUSP2HSD17B10ALDH1A1
SCHEMBL23402264 0.85 ALDH1A1 (0.40) HPGDKDM4EUSP2HSD17B10MAPT
SCHEMBL23402434 0.85 LMNA (0.38) HPGDKDM4EHSD17B10ALDH1A1TP53
SCHEMBL23399369 0.84 TP53 (0.35) HPGDKDM4EUSP2HSD17B10MAPT
SCHEMBL23403032 0.84 CACNA1H (0.41) HPGDKDM4EUSP2HSD17B10MAPT
SCHEMBL23401926 0.83 ALDH1A1 (0.40) HPGDKDM4EUSP2HSD17B10MAPT
SCHEMBL23399384 0.82 GCGR (0.34) KDM4EUSP2HSD17B10MAPTALDH1A1
SCHEMBL23403481 0.81 CACNA1H (0.37) HPGDKDM4EUSP2HSD17B10MAPT
SCHEMBL23400899 0.80 MEN1 (0.41) HPGDKDM4EMAPTALDH1A1MEN1

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