SCHEMBL28313644

SCHEMBL28313644

CC(C=O)CC(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38

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
SCHEMBL18321317 0.83 MTNR1B (0.46) L3MBTL1KMT2ALMNAMEN1GAA
SCHEMBL666155 0.82 POLB (0.47) ELANECYP19A1ALDH1A1NPC1RAB9A
SCHEMBL29250068 0.82 OGG1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL1870721 0.80 LMNA (0.50) ELANECYP19A1ALDH1A1NPC1RAB9A
SCHEMBL15870694 0.80 ELANE (0.41) ELANECYP19A1ALDH1A1NPC1RAB9A
SCHEMBL28524202 0.79 ELANE (0.45) ELANECYP19A1ALDH1A1NPC1RAB9A
SCHEMBL10481772 0.79 ELANE (0.45) ELANECYP19A1ALDH1A1NPC1RAB9A
SCHEMBL27860098 0.79 ELANE (0.45) ELANECYP19A1ALDH1A1NPC1RAB9A
SCHEMBL3079292 0.79 ELANE (0.45) ELANECYP19A1ALDH1A1NPC1RAB9A
SCHEMBL14507374 0.79 ELANE (0.45) ELANECYP19A1ALDH1A1NPC1RAB9A

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
CN-110234426-A Core shell nanocapsule or micro-capsule based on hierarchical zeolite 沙特基础工业全球技术公司 2019-09-13 CN disclosed