SCHEMBL23616699

SCHEMBL23616699

C=C/C=C\OC(C)Oc1cc(CC)ccc1CC(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ CYP4Z1 Q86W10 1/20 0.33
▸ NR4A1 P22736 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ PKM P14618 2/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ EGFR P00533 2/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 1/20 0.30

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
SCHEMBL23616929 0.84 TBXAS1 (0.43) MAPK1L3MBTL1TBXAS1PKM
SCHEMBL21455476 0.75 MAPT (0.35) MAPK1L3MBTL1TBXAS1PKMPOLB
SCHEMBL30011105 0.74 DPP4 (0.46) DRD2
SCHEMBL21437959 0.74 DPP4 (0.46) DRD2
SCHEMBL23617355 0.73 PDCD1 (0.38) ALOX15TBXAS1PKMEGFR
SCHEMBL21455445 0.72 PKM (0.40) L3MBTL1CYP4Z1TBXAS1PKMEGFR
SCHEMBL23617025 0.72 MAPT (0.39) L3MBTL1TBXAS1POLBEGFR
SCHEMBL23617054 0.72 BACE1 (0.38) L3MBTL1
SCHEMBL21455194 0.71 TBXAS1 (0.45) MAPK1L3MBTL1TBXAS1PKM
SCHEMBL23616975 0.71 ALDH1A1 (0.36) L3MBTL1TBXAS1POLB

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
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