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Sugi Predict / Compounds / SCHEMBL29593814

SCHEMBL29593814

SCHEMBL29593814

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 8/20 0.53
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ OPRL1 P41146 3/20 0.48
▸ TFPI P10646 1/20 0.47

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
SCHEMBL30752034 0.93 OPRM1 (0.55) IL23ROPRM1OPRD1OPRK1OPRL1
SCHEMBL29883741 0.87 IL23R (0.46) IL23R
SCHEMBL31031480 0.86 TFPI (0.55) IL23ROPRM1OPRD1OPRK1OPRL1
SCHEMBL30883210 0.86 TFPI (0.56) IL23ROPRL1TFPI
SCHEMBL31145953 0.85 TFPI (0.59) IL23ROPRM1OPRD1OPRK1TFPI
SCHEMBL30880895 0.85 OPRM1 (0.60) IL23ROPRM1OPRD1OPRK1TFPI
SCHEMBL31265328 0.85 NPY4R (0.49) —
SCHEMBL29679632 0.85 TFPI (0.63) OPRM1OPRD1OPRK1TFPI
SCHEMBL31688344 0.85 NPY5R (0.54) IL23RTFPI
SCHEMBL13723920 0.84 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1TFPI

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
CN-114395014-A Characteristic peptide fragment of bullhorn and detection method thereof 南京中医药大学 2022-04-26 — — CN claimed
CN-114395014-B Ox horn characteristic peptide fragment and detection method thereof 南京中医药大学 2024-02-23 — — CN disclosed
CN-114395014-A Characteristic peptide fragment of bullhorn and detection method thereof 南京中医药大学 2022-04-26 — — CN disclosed
CN-114395014-A Characteristic peptide fragment of bullhorn and detection method thereof 南京中医药大学 2022-04-26 — — CN disclosed
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