SCHEMBL7320169

SCHEMBL7320169

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccc(OCc2ccccc2)cc1)C(=O)C(N)C(CN)CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.43
EPOR P19235 1/20 0.43
ALOX5 P09917 2/20 0.40
EPHX2 P34913 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MGLL Q99685 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7324667 0.92 ALOX5 (0.41) ALOX5MGLL
SCHEMBL10378291 0.88 LTA4H (0.39) LTA4HEPORALOX5
SCHEMBL7330268 0.88 ERAP2 (0.37) ALOX5LTB4R
SCHEMBL7322402 0.87 TPSAB1 (0.38) EPOR
SCHEMBL7329315 0.82 ALOX5 (0.37) ALOX5
SCHEMBL7324394 0.80 TPSAB1 (0.40) LMNA
SCHEMBL7327734 0.80 ALOX5 (0.32) ALOX5
SCHEMBL7328746 0.79 SYK (0.38) ALOX5SIGMAR1
SCHEMBL7330559 0.79 LTA4H (0.34) LTA4HEPOR
SCHEMBL7322873 0.79 CES1 (0.35) ALOX5

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed