SCHEMBL8686358

SCHEMBL8686358

CCC(=NOC(C)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.44
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PTGS2 P35354 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GRIN2B Q13224 1/20 0.37
KDM4E B2RXH2 1/20 0.36
AGTR1 P30556 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
SCHEMBL6937012 0.79 SMN1; SMN2 (0.46) MAPTSMN1; SMN2L3MBTL1PDCD1CD274
SCHEMBL5419610 0.75 MAPT (0.45) MAPTSMN1; SMN2L3MBTL1ATMHPGD
SCHEMBL8304612 0.75 MAPT (0.45) MAPTSMN1; SMN2L3MBTL1ATMHPGD
SCHEMBL5419606 0.75 MAPT (0.45) MAPTSMN1; SMN2L3MBTL1ATMHPGD
SCHEMBL8308609 0.74 ATM (0.55) MAPTSMN1; SMN2L3MBTL1ATMHPGD
SCHEMBL20041755 0.74 MAPT (0.47) MAPTSMN1; SMN2L3MBTL1ATMPDCD1
SCHEMBL18193565 0.69 ATM (0.63) MAPTSMN1; SMN2L3MBTL1ATMRAB9A
SCHEMBL8459687 0.69 ATM (0.63) MAPTSMN1; SMN2L3MBTL1ATMRAB9A
SCHEMBL18598370 0.67 ATM (0.61) MAPTSMN1; SMN2L3MBTL1ATMRAB9A
SCHEMBL25743006 0.67 ATM (0.61) MAPTSMN1; SMN2L3MBTL1ATMNPC1

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
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed