SCHEMBL22235388

SCHEMBL22235388

CC(C)(C)[C@@H]1Cn2c(nc3c(OC(F)F)cccc32)-c2[nH]c(=O)c(C(=O)O)c(O)c21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 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
SCHEMBL22236089 1.00 KCNH2 (0.35) KCNH2POLBTDP1HCRTR1HCRTR2
SCHEMBL22235381 1.00 KCNH2 (0.35) KCNH2POLBTDP1HCRTR1HCRTR2
SCHEMBL22235322 0.90 CYP1A1 (0.36) —
SCHEMBL22235544 0.83 KCNH2 (0.36) KCNH2POLBTDP1HCRTR1HCRTR2
SCHEMBL22235315 0.83 APLNR (0.32) —
SCHEMBL22236118 0.83 APLNR (0.32) —
SCHEMBL22235424 0.83 KCNH2 (0.36) KCNH2POLBTDP1HCRTR1HCRTR2
SCHEMBL22235412 0.83 KCNH2 (0.36) KCNH2POLBTDP1HCRTR1HCRTR2
SCHEMBL22235362 0.83 APLNR (0.32) —
SCHEMBL29728945 0.83 APLNR (0.32) —

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
Send feedback