SCHEMBL30863604

SCHEMBL30863604

CC(C)[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.43
▸ BACE1 P56817 2/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ OPRD1 P41143 3/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ GRB2 P62993 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ CTSD P07339 2/20 0.36

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
SCHEMBL29468853 0.91 GRB2 (0.43) ACACBPTPN1CTSLCTSKGRB2
SCHEMBL31400267 0.88 ACACB (0.46) ACACBPTPN1CTSLCTSKACE
SCHEMBL30863579 0.88 CTSL (0.48) ACACBCTSLCTSKOPRD1
SCHEMBL30538842 0.85 CTSL (0.47) ACACBBACE1CTSLCTSKOPRD1
SCHEMBL30250661 0.82 ITGB3 (0.44) ACACBPTPN1ACE
SCHEMBL30863560 0.82 ITGB3 (0.49) PTPN1
SCHEMBL29468820 0.81 ABCB1 (0.42) PTPN1GRB2ACECTSD
SCHEMBL29468879 0.80 ABCB1 (0.41) PTPN1GRB2ACECTSD
SCHEMBL31614446 0.80 CTSL (0.48) CTSLCTSKOPRD1OPRM1OPRK1
SCHEMBL29666997 0.80 LTA4H (0.54) ACACBPTPN1CTSLCTSKOPRD1

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
WO-2024078588-A9 NEW USE OF PEPTIDE COMPOUND IN PREPARATION OF COMPOSITION FOR SKIN AGING REPAIR 深圳市维琪科技股份有限公司 2024-09-26 — — WO disclosed
WO-2024078588-A1 NEW USE OF PEPTIDE COMPOUND IN PREPARATION OF COMPOSITION FOR SKIN AGING REPAIR 深圳市维琪科技股份有限公司 2024-04-18 — — WO disclosed
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