SCHEMBL22235400

SCHEMBL22235400

COC(=O)C1CC2=C(NC1=O)c1nc(OC)c3ccccc3c1CC2C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 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
SCHEMBL22235325 0.92 MEN1 (0.30) MEN1KMT2AATM
SCHEMBL22235411 0.74 — —
SCHEMBL22236138 0.72 — —
SCHEMBL22235398 0.70 PDK2 (0.35) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL29728940 0.70 PDK2 (0.35) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL22235440 0.69 ALDH1A1 (0.34) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL22235484 0.69 ALDH1A1 (0.34) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL29728936 0.69 ALDH1A1 (0.34) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL22235323 0.69 ALDH1A1 (0.34) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL22235409 0.68 GABRA1 (0.35) KDM4EALDH1A1GAAMAPTHPGD

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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