SCHEMBL9833654

SCHEMBL9833654

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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 0.80 REN (0.41) RENHDAC4HDAC1HDAC6
SCHEMBL9833307 0.78 REN (0.43) RENHDAC4HDAC1HDAC6
SCHEMBL9834144 0.77 ANPEP (0.55) RENCTSB
Ammonia Solution, Strong SCHEMBL9832568 0.77 REN (0.54) RENCTSSCTSK
SCHEMBL9832577 0.77 REN (0.48) RENCTSSCTSK
SCHEMBL9832406 0.74 REN (0.48) RENCTSSCTSK
SCHEMBL7443370 0.74 CA1 (0.43) RENCTSSCTSK
SCHEMBL7438948 0.74 CA1 (0.45) RENCTSSCTSKCTSLCTSB
SCHEMBL7438954 0.74 CA1 (0.45) RENCTSSCTSKCTSLCTSB
SCHEMBL9831068 0.73 BACE1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP claimed
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