SCHEMBL29468853

SCHEMBL29468853

CC[C@H](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 10)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 4/20 0.43
▸ MME P08473 9/20 0.42
▸ ACE P12821 9/20 0.42
▸ CPA1 P15085 9/20 0.42
▸ ACE2 Q9BYF1 9/20 0.42
▸ ACACB O00763 1/20 0.41
▸ CTSD P07339 2/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSK P43235 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
SCHEMBL30863604 0.91 ACACB (0.43) GRB2ACEACACBCTSDPTPN1
SCHEMBL29468820 0.90 ABCB1 (0.42) GRB2MMEACECPA1ACE2
SCHEMBL29468879 0.88 ABCB1 (0.41) GRB2MMEACECPA1ACE2
SCHEMBL31400267 0.86 ACACB (0.46) MMEACECPA1ACE2ACACB
SCHEMBL30863579 0.85 CTSL (0.48) MMEACACBCTSLCTSK
SCHEMBL30483708 0.84 GRB2 (0.49) GRB2MMEACECPA1ACE2
SCHEMBL30483706 0.84 GRB2 (0.49) GRB2MMEACECPA1ACE2
SCHEMBL30422538 0.83 CTSD (0.44) GRB2MMEACECPA1ACE2
SCHEMBL30422599 0.83 CTSD (0.44) GRB2MMEACECPA1ACE2
SCHEMBL30250661 0.80 ITGB3 (0.44) MMEACECPA1ACE2ACACB

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
EP-4204440-A1 GLP-1/GIP DUAL AGONISTS Sun Pharmaceutical Industries Limited (IN) 2023-07-05 — — EP disclosed
WO-2022079639-A1 GLP-1/GIP DUAL AGONISTS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2022-04-21 — — WO disclosed
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