SCHEMBL22235344

SCHEMBL22235344

COc1cccc2c1cc1n2C[C@H](C(C)(C)C)c2c-1[nH]c(=O)c(C(=O)O)c2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 6/20 0.38
▸ FNTA P49354 1/20 0.35
▸ PGGT1B P53609 1/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CCR2 P41597 1/20 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
SCHEMBL29728934 1.00 APLNR (0.38) APLNRFNTAPGGT1BMEN1KMT2A
SCHEMBL22235497 1.00 APLNR (0.38) APLNRFNTAPGGT1BMEN1KMT2A
SCHEMBL22235477 0.91 APLNR (0.35) APLNRMEN1KMT2AKDM4EALDH1A1
SCHEMBL22235496 0.91 APLNR (0.35) APLNRMEN1KMT2AKDM4EALDH1A1
SCHEMBL22235249 0.90 APLNR (0.34) APLNRACHEKDM4E
SCHEMBL22235984 0.90 APLNR (0.34) APLNRACHEKDM4E
SCHEMBL29728941 0.90 APLNR (0.34) APLNRACHEKDM4E
SCHEMBL22235315 0.90 APLNR (0.32) APLNR
SCHEMBL22236118 0.90 APLNR (0.32) APLNR
SCHEMBL22235362 0.90 APLNR (0.32) APLNR

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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