SCHEMBL11271429

SCHEMBL11271429

CCCOc1cc2c(c(-c3nc4ccccc4[nH]3)c1)OC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
GALR3 O60755 1/20 0.39
STAT3 P40763 1/20 0.39
KMT2A Q03164 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
ACHE P22303 4/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE5A O76074 1/20 0.36

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
SCHEMBL11253114 0.81 AMY1A (0.47) MAPTSMN1; SMN2TP53HTTRAB9A
SCHEMBL11253305 0.78 NPC1 (0.48) MAPTSMN1; SMN2TP53HTTRAB9A
SCHEMBL11251140 0.71 ALDH1A1 (0.40) MAPTSMN1; SMN2TP53HTTRAB9A
SCHEMBL11262388 0.70 AMY1A (0.37) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL11264095 0.70 AMY1A (0.34) DRD3RAB9ANPC1ALDH1A1KDM4E
SCHEMBL11250100 0.69 KDM4E (0.42) MAPTSMN1; SMN2TP53HTTRAB9A
SCHEMBL11247352 0.69 NPC1 (0.48) MAPTSMN1; SMN2TP53HTTRAB9A
SCHEMBL11255428 0.68 ALDH1A1 (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL31063784 0.68 ACHE (0.74) DRD3MAPTSMN1; SMN2TP53HTT
SCHEMBL11624627 0.68 ACHE (0.74) DRD3MAPTSMN1; SMN2TP53HTT

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-4329459-A ENDOPEROXIDE CYCLOXGENASE INHIBITORS THE UPJOHN COMPANY (US) 1982-05-11 US disclosed