SCHEMBL23400628

SCHEMBL23400628

CCCCc1[nH]n(CC)c(=O)c1-c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
DCTPP1 Q9H773 3/20 0.38
DPP4 P27487 1/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
GCGR P47871 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA2A P29274 2/20 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
SCHEMBL23399874 0.87 KDM4E (0.40) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23399453 0.84 KDM4E (0.44) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23399767 0.82 KDM4E (0.50) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23402732 0.81 KDM4E (0.44) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23398376 0.80 KMT2A (0.40) KDM4EDCTPP1KMT2AALDH1A1HPGD
SCHEMBL23400783 0.79 KDM4E (0.44) KDM4EDCTPP1SMN1; SMN2KMT2AHTT
SCHEMBL23403197 0.78 CYBB (0.40) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23399726 0.77 BRD4 (0.38) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL23398890 0.77 KDM4E (0.54) KDM4EDCTPP1DPP4KMT2AALDH1A1
SCHEMBL23401616 0.75 KDM4E (0.33) KDM4EDCTPP1NPC1RAB9AALDH1A1

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