SCHEMBL30686814

SCHEMBL30686814

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.53
▸ PTPN1 P18031 2/20 0.51
▸ TFPI P10646 1/20 0.51
▸ CTSD P07339 1/20 0.49
▸ BACE2 Q9Y5Z0 2/20 0.48
▸ HRH1 P35367 1/20 0.48

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
SCHEMBL30018311 0.93 BACE1 (0.53) BACE1CTSDHRH1
SCHEMBL30686822 0.93 BACE1 (0.55) BACE1TFPICTSDBACE2HRH1
SCHEMBL30769684 0.92 TFPI (0.57) BACE1PTPN1TFPIBACE2HRH1
SCHEMBL31738162 0.90 BACE1 (0.62) BACE1TFPI
SCHEMBL29777765 0.90 BACE1 (0.59) BACE1PTPN1CTSDBACE2
SCHEMBL31603949 0.89 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL29720238 0.89 BACE1 (0.57) BACE1TFPICTSD
SCHEMBL29904367 0.89 OPRK1 (0.56) —
SCHEMBL2520304 0.87 NAALAD2 (0.56) BACE1BACE2
SCHEMBL2520307 0.87 NAALAD2 (0.56) BACE1BACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186201-A Branched chain modified EGF (A) analogue and application thereof 乐普(北京)医疗器械股份有限公司 2023-12-08 — — CN disclosed
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