SCHEMBL28339657

SCHEMBL28339657

COc1ccccc1C=CC(=O)N1CCOC1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.85
HPGD P15428 4/20 0.85
PKM P14618 1/20 0.63
ITGAL P20701 2/20 0.58
NPC1 O15118 3/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NFE2L2 Q16236 3/20 0.56
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
KEAP1 Q14145 1/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
TFEB P19484 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TRPV1 Q8NER1 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL28339655 1.00 KDM4E (0.85) KDM4EHPGDPKMITGALNPC1
SCHEMBL28339471 0.85 KDM4E (0.62) KDM4EHPGDPKMITGALNPC1
SCHEMBL28339470 0.85 KDM4E (0.62) KDM4EHPGDPKMITGALNPC1
SCHEMBL28341795 0.83 HPGD (0.59) KDM4EHPGDITGALNPC1MAPT
SCHEMBL28339486 0.83 HPGD (0.59) KDM4EHPGDITGALNPC1MAPT
SCHEMBL3112646 0.81 HPGD (0.97) KDM4EHPGDNPC1MAPTRAB9A
SCHEMBL3112643 0.81 HPGD (0.97) KDM4EHPGDNPC1MAPTRAB9A
SCHEMBL28341779 0.80 RAB9A (0.56) KDM4EHPGDITGALNPC1MAPT
SCHEMBL22110827 0.80 HPGD (0.80) KDM4EHPGDNPC1MAPTRAB9A
SCHEMBL28341781 0.80 RAB9A (0.56) KDM4EHPGDITGALNPC1MAPT

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
CN-110483432-A A kind of acrylic compounds and preparation method thereof, pharmaceutical composition and purposes UNIV FUDAN 2019-11-22 CN disclosed