SCHEMBL8410488

SCHEMBL8410488

COC(=O)CCNC(=O)COc1ccccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.60
ALDH1A1 P00352 7/20 0.60
HTT P42858 3/20 0.60
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
USP2 O75604 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.54
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
NPSR1 Q6W5P4 3/20 0.53
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
PAX8 Q06710 1/20 0.50
MITF O75030 1/20 0.49

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
SCHEMBL14327977 0.83 L3MBTL1 (0.64) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL15709145 0.79 HSD17B10 (0.68) LMNAALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL8410783 0.79 LMNA (0.64) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL30919339 0.79 HSD17B10 (0.68) LMNAALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL7041403 0.77 L3MBTL1 (0.64) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL14327984 0.77 LMNA (0.55) LMNAALDH1A1HTTTSHRMAPT
SCHEMBL7398072 0.75 HSD17B10 (0.80) LMNAALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL1947848 0.73 L3MBTL1 (0.72) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL21497776 0.73 KDM4E (0.59) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL14967298 0.72 AR (0.54) LMNAALDH1A1HTTMAPTMAPK1

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
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed