SCHEMBL22235526

SCHEMBL22235526

O=C(O)C1CCc2ccn3c(cc4ccccc43)c2N1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MME P08473 10/20 0.35
▸ ACE P12821 5/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ HSP90B1 P14625 1/20 0.33
▸ TRAP1 Q12931 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TFPI2 P48307 1/20 0.33
▸ NPY4R P50391 1/20 0.33
▸ DAO P14920 1/20 0.33

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
SCHEMBL21358235 0.73 CYP1A2 (0.47) GAAMAPTMMEALDH1A1TP53
Hydrochloric Acid SCHEMBL14741343 0.72 CYP1A2 (0.46) GAAMAPTMMEALDH1A1TP53
SCHEMBL5265048 0.70 GAA (0.41) GAAMAPTMMEACE
SCHEMBL8129742 0.70 GAA (0.41) GAAMAPTMMEACE
SCHEMBL29831598 0.69 GAA (0.69) GAAMAPTMMEACEALDH1A1
SCHEMBL1531662 0.69 GAA (0.69) GAAMAPTMMEACEALDH1A1
SCHEMBL1150614 0.69 GAA (0.69) GAAMAPTMMEACEALDH1A1
SCHEMBL444953 0.69 GAA (0.69) GAAMAPTMMEACEALDH1A1
Hydrochloric Acid SCHEMBL11047643 0.68 GAA (0.67) GAAMAPTMMEACEALDH1A1
Hydrochloric Acid SCHEMBL3157936 0.68 GAA (0.67) GAAMAPTMMEACEALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911653-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-11-24 — — EP disclosed
WO-2020150366-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-07-23 — — WO disclosed
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