SCHEMBL6954159

SCHEMBL6954159

N[C@@](CCCCNC(=O)OCc1ccccc1)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.47
TGM2 P21980 1/20 0.46
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
FOLH1 Q04609 1/20 0.40
PLG P00747 1/20 0.40
ELANE P08246 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
SCHEMBL30972198 0.86 KMT2A (0.54) KMT2ATGM2
SCHEMBL30586088 0.86 KMT2A (0.53) KMT2AIDO1TPSAB1TPSD1TPSG1
SCHEMBL30543501 0.86 KMT2A (0.53) KMT2AIDO1TPSAB1TPSD1TPSG1
SCHEMBL30645703 0.85 KMT2A (0.52) KMT2A
SCHEMBL16915269 0.85 KMT2A (0.50) KMT2AHTTIDO1TDO2LMNA
SCHEMBL17079689 0.85 KMT2A (0.55) KMT2ATPSAB1TPSD1TPSG1
SCHEMBL7038778 0.85 KMT2A (0.47) KMT2AHTTTGM2KEAP1NFE2L2
SCHEMBL28770709 0.84 KMT2A (0.59) KMT2A
SCHEMBL4785263 0.84 KMT2A (0.70) KMT2AHTTTGM2KEAP1NFE2L2
SCHEMBL1394282 0.83 KMT2A (0.51) KMT2A

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-1311292-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-05-21 EP disclosed
WO-2001097861-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed