SCHEMBL8208600

SCHEMBL8208600

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.56
CTSL P07711 6/20 0.56
CTSK P43235 6/20 0.56
CTSS P25774 5/20 0.56
TACR1 P25103 2/20 0.51
TYR P14679 1/20 0.51
TGM2 P21980 1/20 0.50
CASP1 P29466 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL5689118 0.95 TACR1 (0.55) CTSBCTSLCTSKCTSSTACR1
SCHEMBL17039822 0.95 TACR1 (0.55) CTSBCTSLCTSKCTSSTACR1
SCHEMBL14488100 0.95 TACR1 (0.55) CTSBCTSLCTSKCTSSTACR1
SCHEMBL13715882 0.87 CTSL (0.55) CTSBCTSLCTSKCTSSCASP1
SCHEMBL11301054 0.86 CASP1 (0.50) CTSBCTSLCTSKCTSSTACR1
SCHEMBL10753165 0.86 CTSL (0.51) CTSBCTSLCTSKCTSSTACR1
SCHEMBL22657970 0.85 CASP1 (0.60) CASP1
SCHEMBL22657972 0.85 CASP1 (0.60) CASP1
SCHEMBL356447 0.85 CTSK (0.53) CTSBCTSLCTSKCTSSCASP1
SCHEMBL9044348 0.85 ALDH1A1 (0.47) CTSBCTSLCTSKCTSSTACR1

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-1037671-A1 POLYROTAXANES SCHERING AKTIENGESELLSCHAFT (DE) 2000-09-27 EP disclosed
WO-1999030744-A1 POLYROTAXANES SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-24 WO disclosed
EP-0043247-B1 PEPTIDES FOR USE IN DETERMINING SERUM THYMIC FACTOR KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-02-01 EP disclosed
US-4404133-A TYROSINE DERIVATIVES, SERUM THYMIC FACTOR ANALOGS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-09-13 US disclosed
EP-0043247-A1 Peptides for use in determining serum thymic factor KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-01-06 EP disclosed