SCHEMBL8325469

SCHEMBL8325469

CC(C)(C)OC(=O)[C@@H](N)Cc1ncc(-c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
FFAR1 O14842 2/20 0.46
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPPA P01160 2/20 0.42
MME P08473 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL6279385 0.85 NOTUM (0.50) NOTUMRXRARXRBRXRGFFAR1
Hydrochloric Acid SCHEMBL6279382 0.84 NOTUM (0.49) NOTUMRXRARXRBRXRGFFAR1
SCHEMBL6811995 0.84 NOTUM (0.49) NOTUMRXRARXRBRXRGFFAR1
SCHEMBL6273241 0.83 NOTUM (0.48) NOTUMRXRARXRBRXRGFFAR1
SCHEMBL6259186 0.83 NOTUM (0.48) NOTUMRXRARXRBRXRGFFAR1
Hydrochloric Acid SCHEMBL6811990 0.83 NOTUM (0.48) NOTUMRXRARXRBRXRGFFAR1
Hydrochloric Acid SCHEMBL6273239 0.82 NOTUM (0.47) NOTUMRXRARXRBRXRGFFAR1
SCHEMBL6261355 0.82 NOTUM (0.47) NOTUMRXRARXRBRXRGFFAR1
SCHEMBL6254236 0.82 NOTUM (0.58) NOTUMRXRARXRBRXRGFFAR1
SCHEMBL6259458 0.82 FFAR1 (0.52) NOTUMRXRARXRBRXRGFFAR1

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
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 WO disclosed