SCHEMBL23287036

SCHEMBL23287036

COCCNc1cc(C(=O)OC(C)(C)C)ccc1NCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HCAR3 P49019 2/20 0.42
▸ ALOX15 P16050 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ CREBBP Q92793 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ STAT3 P40763 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ 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

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
SCHEMBL23287003 0.87 PTGER4 (0.53) PTGER4ALDH1A1MAPTRAB9AHCAR3
SCHEMBL23490760 0.85 PTGER4 (0.51) PTGER4ALDH1A1MAPTRAB9AHCAR3
SCHEMBL23273555 0.81 PTGER4 (0.57) PTGER4ALDH1A1MAPTRAB9AHCAR3
SCHEMBL29738069 0.77 MAPT (0.60) PTGER4ALDH1A1MAPTRAB9AHCAR3
SCHEMBL23286252 0.77 MAPT (0.60) PTGER4ALDH1A1MAPTRAB9AHCAR3
SCHEMBL23286926 0.73 PTGER4 (0.56) PTGER4ALDH1A1MAPTRAB9AHCAR3
SCHEMBL21015886 0.73 HPGD (0.59) ALDH1A1MAPTRAB9AHPGDMEN1
SCHEMBL23287088 0.72 SLC7A5 (0.40) PTGER4ALDH1A1MAPTALOX15HPGD
SCHEMBL24956357 0.71 ALOX15 (0.43) PTGER4ALDH1A1MAPTRAB9AALOX15
SCHEMBL29160321 0.71 ALOX15 (0.43) PTGER4ALDH1A1MAPTRAB9AALOX15

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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