SCHEMBL22236197

SCHEMBL22236197

COc1[nH]c2c(c(=O)c1C(=O)O)[C@@H](C(C)(C)C)Cc1c-2cc(OC(F)F)c2ncccc12

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SYK P43405 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
SCHEMBL22235213 1.00 NPC1 (0.32) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL22235977 0.87 PDE4D (0.34) SYK
SCHEMBL22235222 0.87 PDE4D (0.34) SYK
SCHEMBL29728932 0.87 PDE4D (0.34) SYK
SCHEMBL22235228 0.87 PDE4D (0.34) SYK
SCHEMBL22235348 0.83 PDE4D (0.30) —
SCHEMBL22235347 0.83 PDE4D (0.30) —
SCHEMBL29728910 0.83 PDE4D (0.30) —
SCHEMBL22235351 0.83 PDE4D (0.30) —
SCHEMBL24357109 0.82 PDE4D (0.34) KDM4E

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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