SCHEMBL7319954

SCHEMBL7319954

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccc(O)cc1)C(=O)C(N)C(CO)CNC(=O)[C@H](C)NC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
GRIA1 P42261 1/20 0.34
APC P25054 3/20 0.34
TPSAB1 Q15661 2/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
REN P00797 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL7324394 0.90 TPSAB1 (0.40) CA2CA5ATPSAB1PLGPRSS1
SCHEMBL7322402 0.87 TPSAB1 (0.38) TPSAB1PLGPRSS1
SCHEMBL7324594 0.86 CTSL (0.38) CA5AAPC
SCHEMBL7329240 0.86 CTSL (0.38) CA5AAPC
SCHEMBL7323129 0.86 ERAP2 (0.36) TPSAB1PLGPRSS1ERAP2ERAP1
SCHEMBL7322873 0.85 CES1 (0.35)
SCHEMBL7323122 0.84 CA2 (0.34) CA2TPSAB1PLGPRSS1ERAP2
SCHEMBL7332732 0.84 CASP1 (0.34)
SCHEMBL7322631 0.84 CASP1 (0.34)
SCHEMBL7332144 0.84 CASP1 (0.34)

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