SCHEMBL11808417

SCHEMBL11808417

CC(C)(C)Sc1cc(SC(C)(C)C)c2oc3ccc(C(N)=O)cc3c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TTR P02766 7/20 0.38
▸ AKR1B1 P15121 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ HTR1A P08908 2/20 0.33

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
SCHEMBL11770078 0.90 TTR (0.49) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11813660 0.82 NPC1 (0.41) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11808742 0.80 TTR (0.40) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11813838 0.78 TTR (0.39) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11812447 0.76 TTR (0.45) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11811311 0.75 TTR (0.36) NPC1RAB9ATTRAKR1B1HPGD
SCHEMBL11770500 0.71 TTR (0.52) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11783476 0.71 NPC1 (0.53) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11812377 0.71 TTR (0.51) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11814402 0.71 TTR (0.51) NPC1RAB9ATTRAKR1B1KDM4E

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-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 — — US disclosed
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