SCHEMBL29617974

SCHEMBL29617974

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ F2 P00734 2/20 0.44
▸ CAPN1 P07384 2/20 0.43
▸ GRB2 P62993 1/20 0.43
▸ REN P00797 1/20 0.41
▸ OPRM1 P35372 3/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ CPA1 P15085 1/20 0.39
▸ CPA2 P48052 1/20 0.39
▸ CPA4 Q9UI42 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ PLK1 P53350 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
SCHEMBL29617972 1.00 ITGB1 (0.45) ITGB1ITGA4F2CAPN1GRB2
SCHEMBL29774715 0.92 F2 (0.50) ITGB1ITGA4F2GRB2REN
SCHEMBL30185039 0.91 CAPN1 (0.48) F2CAPN1GRB2OPRM1OPRD1
SCHEMBL30185032 0.89 F2 (0.46) F2CAPN1GRB2OPRM1OPRD1
SCHEMBL30185035 0.86 CAPN1 (0.44) F2CAPN1GRB2OPRM1OPRD1
SCHEMBL25634796 0.84 ITGB1 (0.49) ITGB1ITGA4F2GRB2REN
SCHEMBL30563305 0.83 GRB2 (0.44) F2GRB2OPRK1
SCHEMBL31181175 0.83 ITGB1 (0.52) ITGB1ITGA4F2CAPN1OPRM1
SCHEMBL30872270 0.83 CAPN1 (0.53) CAPN1OPRM1OPRD1OPRK1
SCHEMBL29630410 0.83 GRB2 (0.44) F2CAPN1GRB2OPRM1OPRD1

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-20230347616-A1 Systems and Methods for Making Improved Expandable Slit-Sheet-Material GOODRICH DAVID PAUL (US) 2023-11-02 — — US disclosed
WO-2023164253-A2 SYSTEMS AND METHODS FOR MAKING IMPROVED EXPANDABLE SLIT-SHEET-MATERIAL GOODRICH DAVID PAUL (US) 2023-08-31 — — WO disclosed
CN-113376451-B Method and device for evaluating space charge and conductive current of cable insulating material 云南电网有限责任公司电力科学研究院 2022-06-07 — — CN disclosed
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