SCHEMBL23286840

SCHEMBL23286840

CNc1ccc(C(=O)OC)cc1NCC(CN)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.43
▸ MAPT P10636 6/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ XDH P47989 1/20 0.41
▸ KDM4E B2RXH2 8/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38

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
SCHEMBL23286926 0.74 PTGER4 (0.56) MAPTCA12CA1CA2CA7
SCHEMBL22912827 0.73 CA1 (0.50) MAPTCA12CA1CA2CA7
SCHEMBL23559583 0.72 LOXL2 (0.53) LOXL2MAPTCA12CA1CA2
SCHEMBL23287087 0.72 PTGER4 (0.43) MAPTCA12CA1CA2CA7
SCHEMBL13847151 0.71 CA1 (0.67) MAPTCA12CA1CA2CA7
SCHEMBL23287088 0.71 SLC7A5 (0.40) MAPTCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL30159680 0.71 LOXL2 (0.51) LOXL2MAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL23535841 0.71 LOXL2 (0.51) LOXL2MAPTCA12CA1CA2
SCHEMBL7920947 0.70 ALDH1A1 (0.67) MAPTCA12CA1CA2CA7
SCHEMBL542066 0.70 PRKCI (0.69) MAPTCA12CA1CA2CA7

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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