SCHEMBL8972173

SCHEMBL8972173

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.53
ALDH1A1 P00352 1/20 0.46
FOLH1 Q04609 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
PDF Q9HBH1 1/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TLR2 O60603 1/20 0.41
MME P08473 1/20 0.40
IL1RN P18510 1/20 0.40
ERAP2 Q6P179 1/20 0.40
FURIN P09958 1/20 0.40
HDAC2 Q92769 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL21485282 1.00 BIRC2 (0.53) BIRC2ALDH1A1FOLH1TAS1R3TAS1R1
SCHEMBL23133171 1.00 BIRC2 (0.53) BIRC2ALDH1A1FOLH1TAS1R3TAS1R1
SCHEMBL21387168 0.87 ALDH1A1 (0.50) BIRC2ALDH1A1MMP3MMP9FURIN
SCHEMBL27097853 0.86 BIRC2 (0.57) BIRC2ALDH1A1FOLH1TAS1R3TAS1R1
SCHEMBL24178319 0.86 BIRC2 (0.57) BIRC2ALDH1A1FOLH1TAS1R3TAS1R1
SCHEMBL11042902 0.86 CA1 (0.53) BIRC2TAS1R3TAS1R1PDFCA1
SCHEMBL27883776 0.86 CA1 (0.53) BIRC2TAS1R3TAS1R1PDFCA1
SCHEMBL11128090 0.86 CA1 (0.53) BIRC2TAS1R3TAS1R1PDFCA1
SCHEMBL7332515 0.86 BIRC2 (0.57) BIRC2FOLH1TAS1R3TAS1R1MME
SCHEMBL3426049 0.85 ALDH1A1 (0.62) ALDH1A1FOLH1MMP3MMP9MME

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