Sugi Predict

Sugi Predict / Compounds / SCHEMBL7328007

SCHEMBL7328007

SCHEMBL7328007

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

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.69
▸ MAGI3 Q5TCQ9 1/20 0.60
▸ KISS1R Q969F8 11/20 0.58
▸ IL23R Q5VWK5 3/20 0.57
▸ CCKBR P32239 4/20 0.52

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
SCHEMBL31497361 0.93 ERBB2 (0.72) ERBB2MAGI3KISS1RIL23RCCKBR
SCHEMBL8182752 0.90 ERBB2 (0.64) ERBB2KISS1RCCKBR
SCHEMBL7329450 0.90 ERBB2 (0.64) ERBB2KISS1RCCKBR
SCHEMBL7332565 0.89 ERBB2 (0.62) ERBB2KISS1RCCKBR
SCHEMBL7324578 0.89 ERBB2 (0.64) ERBB2KISS1RCCKBR
SCHEMBL8176476 0.88 ERBB2 (0.63) ERBB2KISS1RCCKBR
SCHEMBL8182763 0.88 ERBB2 (0.67) ERBB2MAGI3KISS1RIL23RCCKBR
SCHEMBL8176243 0.86 CXCL8 (0.59) ERBB2MAGI3KISS1RIL23RCCKBR
SCHEMBL8177162 0.85 ERBB2 (0.63) ERBB2KISS1RIL23R
SCHEMBL29404414 0.84 ERBB2 (0.61) ERBB2MAGI3KISS1RIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6111065-A INHIBIT NEUTROPHIL ADHESION TO P-SELECTIN; ANTIINFLAMMATORY AGENTS; ANTICOAGULANTS; DIAGNOSTICS CENTOCOR, INC. (US) 2000-08-29 — — US disclosed
EP-0602194-A1 PEPTIDE INHIBITORS OF INFLAMMATION MEDIATED BY SELECTINS CENTOCOR, INC. (US) 1994-06-22 — — EP disclosed
WO-1994004568-A1 PEPTIDE INHIBITORS OF INFLAMMATION MEDIATED BY SELECTINS CENTOCOR, INC. (US) 1994-03-03 — — WO disclosed
Send feedback