SCHEMBL7324895

SCHEMBL7324895

COC(=O)C(C(C)C)N(C(=O)CCC(=O)CCc1ccc(OCc2ccccc2)cc1)C(=O)C(N)C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.40
SYK P43405 1/20 0.38
EPOR P19235 1/20 0.37
HDAC1 Q13547 1/20 0.37
PSMB5 P28074 5/20 0.37
PSMB1 P20618 5/20 0.37
PSMB9 P28065 4/20 0.37
PSMB8 P28062 3/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PSMB10 P40306 4/20 0.35
PSMB2 P49721 4/20 0.35
YAP1 P46937 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
BCL2 P10415 1/20 0.34

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
SCHEMBL10377254 0.93 SYK (0.39) SYK
SCHEMBL10378291 0.84 LTA4H (0.39) LTA4HSYKEPORHDAC1PSMB5
SCHEMBL10378284 0.81 LTA4H (0.45) LTA4HSYKHDAC1PSMB5PSMB1
SCHEMBL7328746 0.76 SYK (0.38) SYK
SCHEMBL7323172 0.74 SYK (0.43) LTA4HSYKPSMB5PSMB1PSMB9
SCHEMBL7320169 0.74 LTA4H (0.43) LTA4HEPORFFAR1FFAR4LTB4R
SCHEMBL7330559 0.71 LTA4H (0.34) LTA4HEPORPSMB5PSMB1PSMB9
SCHEMBL7322402 0.71 TPSAB1 (0.38) EPOR
SCHEMBL7322023 0.70 TLR2 (0.33)
SCHEMBL31724393 0.69 SYK (0.54) LTA4HSYKHDAC1YAP1BCL2

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