SCHEMBL29978438

SCHEMBL29978438

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ GSTK1 Q9Y2Q3 1/20 0.48
▸ FOLH1 Q04609 7/20 0.46
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ PTPN1 P18031 3/20 0.43
▸ BMP1 P13497 1/20 0.42
▸ BACE1 P56817 2/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ GLO1 Q04760 1/20 0.39

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
SCHEMBL30099581 0.88 FOLH1 (0.45) FOLH1OPRM1OPRD1OPRK1PTPN1
SCHEMBL30901840 0.88 BACE1 (0.47) FOLH1OPRM1OPRD1OPRK1PTPN1
SCHEMBL29892499 0.87 FOLH1 (0.50) PTGS1GSTK1FOLH1OPRM1OPRD1
SCHEMBL29552270 0.87 PTGS1 (0.44) PTGS1GSTK1FOLH1PTPN1BACE1
SCHEMBL29414403 0.85 MAPT (0.49) FOLH1OPRM1OPRD1OPRK1
SCHEMBL29837069 0.85 FNTA (0.48) PTGS1GSTK1
SCHEMBL30901841 0.84 PTPN1 (0.46) FOLH1OPRM1OPRD1OPRK1PTPN1
SCHEMBL29655247 0.84 FOLH1 (0.60) FOLH1PTPN1BACE1BACE2
SCHEMBL30193320 0.83 FOLH1 (0.55) PTGS1GSTK1FOLH1OPRM1OPRD1
SCHEMBL2789997 0.82 GLO1 (0.45) PTGS1GSTK1OPRM1OPRD1OPRK1

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-12129277-B2 Linear solution phase routes for WNT hexapeptides WNTRESEARCH AB (SE) 2024-10-29 — — US disclosed
CN-113646324-B Linear solution phase pathway for WNT hexapeptide 温特研究公司 2024-03-29 — — CN disclosed
EP-3894426-B1 LINEAR SOLUTION PHASE ROUTES FOR WNT HEXAPEPTIDES WNTRESEARCH AB (SE) 2022-09-21 — — EP disclosed
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