SCHEMBL23287088

SCHEMBL23287088

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ STAT3 P40763 2/20 0.33
▸ PTGER4 P35408 2/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL23490760 0.78 PTGER4 (0.51) SLC7A5ALOX15KDM4EGABRA1GABRG2
SCHEMBL23273557 0.77 ALOX15 (0.42) SLC7A5ALOX15CA12CA1CA2
SCHEMBL23287087 0.76 PTGER4 (0.43) CA12CA1CA2CA9CA14
SCHEMBL28754359 0.73 KMT2A (0.42) KDM4EPTGER4ALDH1A1MAPTKMT2A
SCHEMBL23287036 0.72 PTGER4 (0.47) SLC7A5ALOX15CA12CA1CA2
SCHEMBL29160321 0.71 ALOX15 (0.43) SLC7A5ALOX15CA12CA1CA2
SCHEMBL24956357 0.71 ALOX15 (0.43) SLC7A5ALOX15CA12CA1CA2
SCHEMBL24083653 0.71 ALOX15 (0.43) SLC7A5ALOX15CA12CA1CA2
SCHEMBL23286840 0.71 LOXL2 (0.43) CA12CA1CA2CA9CA14
SCHEMBL30289516 0.70 ALOX15 (0.51) SLC7A5ALOX15CA12CA1CA2

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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