SCHEMBL7364108

SCHEMBL7364108

CC(C)CC1CC(C(CC2CCCCC2)N(C(=O)O)C(C)(C)C)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ATM Q13315 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
MME P08473 1/20 0.30
CTSS P25774 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
SCHEMBL7363475 0.87 CTSS (0.30) CTSS
SCHEMBL7364034 0.87 CTSS (0.30) CTSS
SCHEMBL7360069 0.86 ATM (0.39) CTSKATMCTSLCTSBCTSS
SCHEMBL7360310 0.79 CTSK (0.35) CTSKATMCTSLCTSBCTSH
SCHEMBL969953 0.78 CTSK (0.36) CTSKATMCTSLCTSBCTSH
SCHEMBL970772 0.78 CTSK (0.36) CTSKATMCTSLCTSBCTSH
Hydrochloric Acid SCHEMBL7364666 0.72 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10425979 0.72 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9534696 0.72 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10669320 0.72 CTSK (0.44) CTSKHDAC4HDAC1HDAC6CTSS

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-0270234-A2 Renin inhibitors PFIZER INC. (US) 1988-06-08 EP disclosed
WO-1988003022-A1 RELATIVELY LOW MOLECULAR WEIGHT POLYPEPTIDES AS RENIN INHIBITORS PFIZER INC. (US) 1988-05-05 WO disclosed