SCHEMBL7330268

SCHEMBL7330268

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
ACHE P22303 2/20 0.34
SGMS1 Q86VZ5 2/20 0.34
SGMS2 Q8NHU3 2/20 0.34
SPHK1 Q9NYA1 6/20 0.33
TRPV1 Q8NER1 1/20 0.33
LTB4R Q15722 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
AGTR1 P30556 1/20 0.33
ALOX5 P09917 1/20 0.32

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 0.91 ALOX5 (0.41) ALOX5
SCHEMBL7330169 0.89 ERAP2 (0.36) ERAP2ERAP1ACHESGMS1SGMS2
SCHEMBL10377223 0.89 ERAP2 (0.36) ERAP2ERAP1ACHESGMS1SGMS2
SCHEMBL7320169 0.88 LTA4H (0.43) LTB4RALOX5
SCHEMBL7321467 0.84 ERAP2 (0.35) ERAP2ERAP1
Hydrochloric Acid SCHEMBL7330752 0.84 ERAP2 (0.35) ERAP2ERAP1
SCHEMBL7323122 0.82 CA2 (0.34) ERAP2ERAP1
SCHEMBL7329315 0.81 ALOX5 (0.37) ALOX5
SCHEMBL7330032 0.79 ERAP2 (0.33) ERAP2ERAP1SPHK1
SCHEMBL7328746 0.78 SYK (0.38) 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