SCHEMBL5710731

SCHEMBL5710731

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.56
▸ GHSR Q92847 6/20 0.55
▸ ERBB2 P04626 1/20 0.52
▸ IL23R Q5VWK5 2/20 0.50
▸ UTS2R Q9UKP6 1/20 0.50
▸ CCKAR P32238 1/20 0.49
▸ CCKBR P32239 1/20 0.49
▸ KISS1R Q969F8 2/20 0.49
▸ ACE P12821 1/20 0.48
▸ MAGI3 Q5TCQ9 1/20 0.48

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
SCHEMBL30574266 0.97 ERBB2 (0.56) ERAP2GHSRERBB2CCKARCCKBR
SCHEMBL29404414 0.94 ERBB2 (0.61) ERAP2GHSRERBB2IL23RKISS1R
SCHEMBL30945895 0.92 GHSR (0.64) ERAP2GHSR
SCHEMBL30974046 0.90 GHSR (0.63) ERAP2GHSRACE
SCHEMBL31375294 0.90 ERBB2 (0.55) ERAP2GHSRERBB2UTS2RCCKAR
SCHEMBL31465165 0.89 MAGI3 (0.53) ERAP2GHSRERBB2IL23RMAGI3
SCHEMBL29874494 0.88 ERAP2 (0.56) ERAP2GHSRERBB2UTS2RKISS1R
SCHEMBL31720351 0.88 ERAP2 (0.69) ERAP2ACE
SCHEMBL31598489 0.88 IL23R (0.59) GHSRERBB2IL23RKISS1RMAGI3
SCHEMBL7329450 0.87 ERBB2 (0.64) ERAP2ERBB2CCKBRKISS1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104768-B1 Peptide sequences from aspergillus fumigatus for the diagnosis of aspergillosis COUNCIL SCIENT IND RES (IN) 2006-11-29 — — EP disclosed
US-6902901-B2 Polypeptides useful for diagnosis of Aspergillus fumigatus and a process of preparing the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-07 — — US disclosed
US-20020061544-A1 Novel polypeptides useful for diagnosis of Aspergillus fumigatus and a process of preparing the same COUNCIL OF SCIENTIFIC INDUSTRIAL RESEARCH 2002-05-23 — — US disclosed
US-6262231-B1 POLYPEPTIDES USED FOR IDENTIFICATION AND PURIFICATION OF DIAGNOSTICALLY RELEVANT ALLERGENS AND ANTIGENS OF ASPERGILLUS FUMIGATUS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-07-17 — — US disclosed
EP-1104768-A1 Peptide sequences from aspergillus fumigatus for the diagnosis of aspergillosis Council of Scientific and Industrial Research (IN) 2001-06-06 — — EP disclosed
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