SCHEMBL20482885

SCHEMBL20482885

COc1ccc(CC2(NC=O)CCCC2)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ BCHE P06276 2/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SMPD1 P17405 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL20482692 0.88 KMT2A (0.47) KMT2AKDM4ESMN1; SMN2LMNAHTT
SCHEMBL20482988 0.86 HTR1A (0.40) KMT2AKDM4ESMN1; SMN2LMNAHTT
SCHEMBL20482556 0.84 ALDH1A1 (0.46) KMT2AKDM4ESMN1; SMN2ALDH1A1HDAC1
SCHEMBL20482226 0.83 HPGD (0.40) KMT2AKDM4ESMN1; SMN2LMNAHTT
SCHEMBL20482809 0.83 PTPN1 (0.40) KMT2ASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL20482270 0.81 RXRA (0.42) HTTALDH1A1L3MBTL1
SCHEMBL20482481 0.79 MAPK1 (0.53) KMT2AKDM4ESMN1; SMN2LMNAHTT
SCHEMBL20482240 0.78 REN (0.41) KMT2AALDH1A1MEN1L3MBTL1NPC1
SCHEMBL20482676 0.78 SMPD1 (0.52) KMT2AKDM4ESMN1; SMN2LMNABCHE
SCHEMBL20482446 0.78 TSHR (0.38) KMT2ASMN1; SMN2LMNAALDH1A1MAPK1

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
WO-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 — — WO disclosed
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