SCHEMBL7330169

SCHEMBL7330169

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccc(O)cc1)C(=O)C(N)C(CO)CNC(=O)C(C)N

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.36
ERAP1 Q9NZ08 1/20 0.36
TLR2 O60603 1/20 0.33
SPHK1 Q9NYA1 7/20 0.32
JUN P05412 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
IL1RN P18510 1/20 0.31
ACHE P22303 1/20 0.31
SGMS1 Q86VZ5 1/20 0.31
SGMS2 Q8NHU3 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
SCHEMBL10377223 1.00 ERAP2 (0.36) ERAP2ERAP1TLR2SPHK1JUN
SCHEMBL7323129 0.94 ERAP2 (0.36) ERAP2ERAP1TLR2SPHK1JUN
SCHEMBL7329315 0.92 ALOX5 (0.37)
SCHEMBL7321467 0.90 ERAP2 (0.35) ERAP2ERAP1OPRM1OPRD1OPRK1
SCHEMBL7330268 0.89 ERAP2 (0.37) ERAP2ERAP1SPHK1ACHESGMS1
Hydrochloric Acid SCHEMBL7330752 0.89 ERAP2 (0.35) ERAP2ERAP1OPRM1OPRD1OPRK1
SCHEMBL7323122 0.88 CA2 (0.34) ERAP2ERAP1
SCHEMBL7322873 0.87 CES1 (0.35)
SCHEMBL7327734 0.84 ALOX5 (0.32)
SCHEMBL7330032 0.83 ERAP2 (0.33) ERAP2ERAP1SPHK1

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