SCHEMBL9833307

SCHEMBL9833307

CC(C)CCC(=O)NC(CC(O)C(CC(C)C)NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9833313 0.85 REN (0.41) RENCA1CA2CA7HDAC4
SCHEMBL9079107 0.82 HDAC4 (0.42) RENCA1CA2CA7HDAC4
SCHEMBL9079109 0.82 HDAC4 (0.42) RENCA1CA2CA7HDAC4
SCHEMBL7354951 0.82 HDAC4 (0.42) RENCA1CA2CA7HDAC4
SCHEMBL7354944 0.82 HDAC4 (0.42) RENCA1CA2CA7HDAC4
SCHEMBL9833654 0.78 REN (0.42) RENHDAC4HDAC1HDAC6
SCHEMBL10606974 0.78 REN (0.37) RENCA1CA2
SCHEMBL9746179 0.74 HDAC4 (0.40) RENCA1CA2CA7HDAC4
SCHEMBL7438948 0.74 CA1 (0.45) RENCA1CA2CA7
SCHEMBL10337105 0.74 HDAC4 (0.40) RENCA1CA2CA7HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed