SCHEMBL8679491

SCHEMBL8679491

CC(C)(C)OC(=O)c1ccc[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.55
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DAO P14920 1/20 0.41

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
SCHEMBL680683 0.80 NAPRT (0.60) NAPRTGAAALDH1A1RECQLKDM4E
Hydrochloric Acid SCHEMBL4428793 0.79 NAPRT (0.58) NAPRTGAAALDH1A1RECQLKDM4E
SCHEMBL28587355 0.78 ALDH1A1 (0.36) NAPRTGAAALDH1A1KDM4EADRA1A
SCHEMBL109178 0.77 TSHR (0.50) ALDH1A1TSHRMAPK1RAB9ANPC1
SCHEMBL30111657 0.77 TSHR (0.50) ALDH1A1TSHRMAPK1RAB9ANPC1
SCHEMBL645520 0.77 RAB9A (0.56) GAARECQLTSHRRAB9ANPC1
SCHEMBL14632936 0.76 NAPRT (0.55) NAPRTGAAALDH1A1RECQLKDM4E
SCHEMBL930113 0.76 TSHR (0.61) NAPRTGAAALDH1A1RECQLKDM4E
Hydrogen Peroxide SCHEMBL29048859 0.75 TSHR (0.48) ALDH1A1TSHRRAB9ANPC1ADRA1A
SCHEMBL30302109 0.75 RAB9A (0.55) GAARECQLTSHRRAB9ANPC1

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-110938055-A Six-membered ring formamide compound and synthesis method and application thereof 华东师范大学 2020-03-31 CN disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed