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Sugi Predict / Compounds / SCHEMBL29695659

SCHEMBL29695659

SCHEMBL29695659

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 6/20 0.58
▸ ACE P12821 2/20 0.53
▸ ERAP2 Q6P179 1/20 0.53
▸ ECE1 P42892 1/20 0.52
▸ MAGI3 Q5TCQ9 1/20 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
SCHEMBL30974046 0.95 GHSR (0.63) GHSRACEERAP2ECE1
SCHEMBL30093031 0.94 GHSR (0.59) GHSRACEERAP2ECE1
SCHEMBL30093102 0.94 GHSR (0.59) GHSRACEERAP2ECE1
SCHEMBL30974434 0.93 GHSR (0.56) GHSRACEERAP2
SCHEMBL30093048 0.92 GHSR (0.60) GHSRACEECE1
SCHEMBL29496471 0.91 GHSR (0.65) GHSRACEECE1
SCHEMBL30130563 0.91 GHSR (0.59) GHSRACEECE1
SCHEMBL30130571 0.91 GHSR (0.59) GHSRACEECE1
SCHEMBL1711338 0.90 GHSR (0.64) GHSRACEERAP2ECE1
SCHEMBL1711224 0.90 GHSR (0.64) GHSRACEERAP2ECE1

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
EP-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
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