SCHEMBL8336509

SCHEMBL8336509

CC(=O)Oc1ccc(C(=O)c2cc(O)ccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HSD17B1 P14061 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAOB P27338 1/20 0.45
ELANE P08246 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.42
CYP2C8 P10632 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
BACE1 P56817 1/20 0.40

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
SCHEMBL8335747 0.87 HSD17B10 (0.57) LMNAHSD17B1HSD17B10NPC1KMT2A
SCHEMBL8457497 0.80 MAPT (0.50) LMNAHSD17B10ELANENPC1MAPT
SCHEMBL8338448 0.79 HCRTR1 (0.47) LMNAHSD17B10NPC1KMT2AESR1
4-Acetoxyphenol SCHEMBL11308692 0.76 LMNA (0.83) LMNAHSD17B10ELANEKMT2AMAPT
SCHEMBL8460794 0.76 HSD17B10 (0.56) LMNAHSD17B10ELANENPC1KMT2A
SCHEMBL8336564 0.76 HSD17B10 (0.49) LMNAHSD17B1HSD17B10NPC1KMT2A
SCHEMBL9002560 0.75 LMNA (0.58) LMNAHSD17B10ELANENPC1KMT2A
SCHEMBL1551126 0.74 LMNA (0.87) LMNAHSD17B10MAOBELANEKMT2A
SCHEMBL8630381 0.74 ESR1 (0.80) LMNAHSD17B10KMT2AESR1MAPT
SCHEMBL8460805 0.74 BACE1 (0.57) LMNAHSD17B10ELANENPC1KMT2A

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-1999007694-A1 COMPOUNDS AND USES THEREOF ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed