SCHEMBL7418607

SCHEMBL7418607

OB(O)c1ccccc1COCl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.48
LIPE Q05469 3/20 0.43
ENPP2 Q13822 3/20 0.42
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
CXCR2 P25025 2/20 0.35
IDO1 P14902 4/20 0.32
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL29504613 0.81 LIPG (0.50) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL520432 0.81 LIPG (0.50) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL12544470 0.78 LIPG (0.52) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL29952834 0.78 LIPG (0.52) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL29952337 0.77 IDO1 (0.48) LIPGLIPEENPP2IDO1
SCHEMBL31071990 0.76 LIPG (0.46) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL21767575 0.76 LIPG (0.46) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL29408426 0.76 LIPG (0.46) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL1260133 0.76 LIPG (0.50) LIPGLIPE
SCHEMBL1773603 0.76 LIPG (0.46) LIPGLIPEENPP2ORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206449-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-22 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001007407-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-02-01 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed