SCHEMBL8972471

SCHEMBL8972471

CCCCOC(OCCCC)C(CCCC)NC(=O)[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TLR2 O60603 2/20 0.38
BACE1 P56817 5/20 0.37
PLA2G2C Q5R387 1/20 0.37
CTSS P25774 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BIRC2 Q13490 2/20 0.36
CTSD P07339 4/20 0.36
CTSK P43235 1/20 0.35
REN P00797 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL8972538 0.95 ALDH1A1 (0.42) ALDH1A1TLR2BACE1PLA2G2CCTSS
SCHEMBL8971543 0.91 ALDH1A1 (0.43) ALDH1A1BACE1PLA2G2CCTSSBIRC2
SCHEMBL14269804 0.87 NPY4R (0.43) BACE1CTSD
SCHEMBL9132373 0.87 NPY4R (0.43) BACE1CTSD
SCHEMBL9132164 0.87 NPY4R (0.43) BACE1CTSD
SCHEMBL8972038 0.87 ALDH1A1 (0.44) ALDH1A1BACE1PLA2G2CCTSSBIRC2
SCHEMBL9129549 0.77 NPY4R (0.48)
SCHEMBL21387168 0.76 ALDH1A1 (0.50) ALDH1A1BACE1CTSSBIRC2CTSK
SCHEMBL8972090 0.76 BIRC2 (0.43) BACE1CTSSBIRC2CTSKREN
SCHEMBL23133171 0.76 BIRC2 (0.53) ALDH1A1TLR2BIRC2SIRT6SIRT1

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-0543310-B1 Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LTD (JP) 1996-03-27 EP disclosed
US-5395824-A Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LIMITED (JP) 1995-03-07 US disclosed