SCHEMBL22235496

SCHEMBL22235496

CCOc1cccc2c1cc1n2C[C@@H](C(C)(C)C)c2c-1[nH]c(=O)c(C(=O)O)c2O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 5/20 0.35
▸ DAO P14920 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.30
▸ PLCG1 P19174 1/20 0.30
▸ HRH2 P25021 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
SCHEMBL22235477 1.00 APLNR (0.35) APLNRDAOHCRTR1HCRTR2KDM4E
SCHEMBL24357107 1.00 APLNR (0.35) APLNRDAOHCRTR1HCRTR2KDM4E
SCHEMBL22235249 0.91 APLNR (0.34) APLNRKDM4EHRH2
SCHEMBL22235984 0.91 APLNR (0.34) APLNRKDM4EHRH2
SCHEMBL22235497 0.91 APLNR (0.38) APLNRKDM4EALDH1A1HSD17B10MEN1
SCHEMBL22235344 0.91 APLNR (0.38) APLNRKDM4EALDH1A1HSD17B10MEN1
SCHEMBL22236118 0.87 APLNR (0.32) APLNR
SCHEMBL22235315 0.87 APLNR (0.32) APLNR
SCHEMBL22235362 0.87 APLNR (0.32) APLNR
SCHEMBL22235322 0.74 CYP1A1 (0.36) 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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