SCHEMBL16976196

SCHEMBL16976196

CC1=C(c2c(C)cc(C)cc2C)C(=O)C(CC2CCOCC2)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.32
▸ ACHE P22303 4/20 0.32
▸ BCHE P06276 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ RIPK3 Q9Y572 1/20 0.31
▸ BRD4 O60885 2/20 0.30
▸ BAZ2A Q9UIF9 1/20 0.30
▸ PRNP P04156 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
SCHEMBL12239446 0.87 NPC1 (0.32) DAOACHEBCHENPC1RAB9A
SCHEMBL12239386 0.85 ACHE (0.36) ACHEBCHECRHR1
SCHEMBL12239427 0.80 MEN1 (0.32) ACHEBCHENPC1RAB9A
SCHEMBL10187588 0.80 DAO (0.31) DAONPC1RAB9A
SCHEMBL12239425 0.80 — —
SCHEMBL1652524 0.79 ELANE (0.37) NPC1RAB9A
SCHEMBL15001100 0.78 EZH2 (0.33) —
SCHEMBL12239206 0.77 DAO (0.33) DAONPC1RAB9ATP53CRHR1
SCHEMBL12239426 0.77 MAPT (0.36) ACHE
SCHEMBL515998 0.76 ACHE (0.33) ACHEBCHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096560-B2 5-heterocyclylalkyl-3-hydroxy-2-phenylcyclopent-2-enones as herbicides SYNGENTA LIMITED (GB) 2015-08-04 — — US disclosed
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