SCHEMBL11275720

SCHEMBL11275720

CNC(=O)c1cc(=O)c(-c2ccc(OC)c(OC)c2)co1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
HSD17B10 Q99714 4/20 0.47
NPC1 O15118 3/20 0.47
MAPK1 P28482 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
BRD4 O60885 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
ABCB1 P08183 1/20 0.46
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PRKCZ Q05513 2/20 0.40
PRKCI P41743 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL11262182 0.85 NPC1 (0.50) MAPTHSD17B10NPC1MAPK1RAB9A
SCHEMBL11283228 0.84 MAPT (0.49) MAPTHSD17B10NPC1MAPK1RAB9A
Hydrochloric Acid SCHEMBL11283231 0.84 NPC1 (0.49) MAPTHSD17B10NPC1MAPK1RAB9A
SCHEMBL11278824 0.80 HTT (0.52) MAPTHSD17B10NPC1MAPK1RAB9A
SCHEMBL11264741 0.78 FGFR1 (0.43) MAPTHSD17B10NPC1MAPK1RAB9A
SCHEMBL11264995 0.70 ALDH1A1 (0.47) MAPTHSD17B10NPC1MAPK1RAB9A
SCHEMBL11281901 0.69 NR4A2 (0.52) MAPTHSD17B10NPC1MAPK1RAB9A
SCHEMBL23300917 0.67 CTNNB1 (0.44) HSD17B10MAPK1RECQLALDH1A1HPGD
SCHEMBL29831483 0.67 CTNNB1 (0.44) HSD17B10MAPK1RECQLALDH1A1HPGD
SCHEMBL13837654 0.67 MAPT (0.77) MAPTHSD17B10MAPK1BRD4BRD9

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
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed