SCHEMBL23287291

SCHEMBL23287291

CCc1nc2ccc(C(=O)OC)cc2n1CCOC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 5/20 0.51
▸ PTGER4 P35408 3/20 0.48
▸ TLR7 Q9NYK1 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ GLP1R P43220 2/20 0.43
▸ PIK3CA P42336 1/20 0.42

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
SCHEMBL29559474 0.89 TLR7 (0.48) ACSS2PTGER4TLR7KDM4EALDH1A1
SCHEMBL20280108 0.89 TLR7 (0.48) ACSS2PTGER4TLR7KDM4EALDH1A1
Hydrochloric Acid SCHEMBL20266404 0.88 TLR7 (0.47) ACSS2PTGER4TLR7KDM4EALDH1A1
SCHEMBL29993371 0.82 PKM (0.47) ACSS2PTGER4ALDH1A1PKMHTT
SCHEMBL23287370 0.82 ACSS2 (0.43) ACSS2PTGER4TLR7KDM4EALDH1A1
SCHEMBL22009843 0.82 GLP1R (0.51) ACSS2KDM4EALDH1A1GLAGAA
SCHEMBL30676073 0.82 GLP1R (0.51) ACSS2KDM4EALDH1A1GLAGAA
SCHEMBL23287296 0.81 KDM4E (0.41) ACSS2PTGER4TLR7KDM4EALDH1A1
SCHEMBL23287097 0.81 CNR2 (0.42) ACSS2PTGER4TLR7KDM4EALDH1A1
SCHEMBL23273512 0.81 KDM4E (0.41) ACSS2PTGER4TLR7KDM4EALDH1A1

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
WO-2021081207-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-04-29 — — WO disclosed
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