SCHEMBL31040681

SCHEMBL31040681

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 6/20 0.56
▸ APLNR P35414 2/20 0.56
▸ OPRM1 P35372 6/20 0.55
▸ OPRK1 P41145 6/20 0.55
▸ CTSL P07711 2/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CTSH P09668 1/20 0.53
▸ F2 P00734 1/20 0.51
▸ CXCR4 P61073 1/20 0.51

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
SCHEMBL29575211 0.98 EPHA2 (0.55) EPHA2APLNROPRM1OPRK1CTSL
SCHEMBL30526201 0.95 OPRM1 (0.57) EPHA2APLNROPRM1OPRK1CTSL
SCHEMBL30973967 0.94 CTSL (0.57) EPHA2APLNROPRM1OPRK1CTSL
SCHEMBL30753629 0.93 APLNR (0.62) APLNROPRM1OPRK1F2
SCHEMBL31437675 0.91 REN (0.53) F2
SCHEMBL30974445 0.89 CALCRL (0.55) EPHA2APLNRCTSLCTSSCTSK
SCHEMBL30457594 0.89 APLNR (0.59) APLNROPRM1OPRK1
SCHEMBL30458060 0.89 APLNR (0.62) APLNROPRM1OPRK1CTSLCTSS
SCHEMBL29697039 0.89 EPHA2 (0.58) EPHA2APLNRF2CXCR4
SCHEMBL30948380 0.88 APLNR (0.52) EPHA2APLNROPRM1OPRK1CTSL

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
CN-118416200-A Preparation and application of nano selenium-ovalbumin peptide complex with immunoregulation function 吉林大学 2024-08-02 — — CN claimed
CN-118416200-A Preparation and application of nano selenium-ovalbumin peptide complex with immunoregulation function 吉林大学 2024-08-02 — — CN disclosed
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