SCHEMBL27365316

SCHEMBL27365316

CCOC(=O)c1ccc(OCc2ccccc2)c(OC2CCCO2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.47
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPIA P62937 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL4403626 0.81 SMN1; SMN2 (0.61) HSD17B10NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8068953 0.80 ALOX15 (0.47) HSD17B10ALOX15NPC1HPGDRAB9A
SCHEMBL4279981 0.79 HSD17B10 (0.61) HSD17B10NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1810999 0.78 SMN1; SMN2 (0.55) HSD17B10NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8409709 0.78 HSD17B10 (0.47) HSD17B10NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL340393 0.78 SMN1; SMN2 (0.72) NPC1HPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL8601204 0.78 CCR5 (0.45) HPGDALDH1A1
SCHEMBL13440181 0.75 FFAR4 (0.58) NPC1HPGDRAB9ASMN1; SMN2PPIA
SCHEMBL18031245 0.75 NPC1 (0.54) PDE4BHSD17B10NPC1HPGDRAB9A
SCHEMBL15517564 0.75 SMN1; SMN2 (0.54) HSD17B10NPC1HPGDRAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068879-C Dihydrobenzofuranes BYK GULDEN LOMBERY CHEM FAB GM (DE) 2001-07-25 CN disclosed
CN-1159804-A Dihydrobenzofuranes BYK GULDEN LOMBERG CHEM FAB (DE) 1997-09-17 CN disclosed