SCHEMBL6270192

SCHEMBL6270192

NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](Cc1ccncc1)NC(=O)CP(=O)(O)C(Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.51
FCER2 P06734 5/20 0.47
MMP9 P14780 3/20 0.47
MMP3 P08254 1/20 0.47
PTPN2 P17706 2/20 0.44
PIN1 Q13526 2/20 0.44
PTPRA P18433 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
MMP2 P08253 2/20 0.43
MMP7 P09237 2/20 0.43
MMP8 P22894 2/20 0.43
MMP14 P50281 2/20 0.43
F2 P00734 1/20 0.41
ROCK1 Q13464 2/20 0.41
PRKACA P17612 1/20 0.41
SRC P12931 1/20 0.41
ZAP70 P43403 1/20 0.41
CTNNB1 P35222 2/20 0.39
LCK P06239 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
SCHEMBL6271888 0.85 PTPN1 (0.47) PTPN1FCER2MMP9MMP3PTPN2
SCHEMBL6271881 0.85 PTPN1 (0.47) PTPN1FCER2MMP9MMP3PTPN2
SCHEMBL6273945 0.83 F2 (0.58) PTPN1FCER2MMP9PTPN2PIN1
SCHEMBL6268162 0.80 PTPN1 (0.52) PTPN1FCER2MMP9MMP3PTPN2
SCHEMBL8276816 0.77 FCER2 (0.48) PTPN1FCER2MMP9MMP3PTPN2
SCHEMBL6269192 0.77 FCER2 (0.48) PTPN1FCER2MMP9MMP3PTPN2
SCHEMBL6269195 0.77 FCER2 (0.48) PTPN1FCER2MMP9MMP3PTPN2
SCHEMBL6273418 0.76 REN (0.47) PTPN1
SCHEMBL6271928 0.75 PTPN1 (0.43) PTPN1FCER2MMP9MMP3PTPN2
SCHEMBL6271955 0.74 PTPN1 (0.43) PTPN1FCER2MMP9MMP3PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 WO claimed
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 WO disclosed
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 WO disclosed