SCHEMBL29464997

SCHEMBL29464997

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.42
▸ NAA50 Q9GZZ1 1/20 0.40
▸ FAP Q12884 2/20 0.39
▸ CALCRL Q16602 4/20 0.39
▸ RAMP1 O60894 1/20 0.39
▸ XIAP P98170 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ APLNR P35414 2/20 0.37
▸ KMT2A Q03164 1/20 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
SCHEMBL30493569 0.88 NMUR2 (0.40) GRB2NAA50CALCRLRAMP1PTPN1
SCHEMBL29580398 0.86 GRB2 (0.44) GRB2NAA50FAPCALCRLRAMP1
SCHEMBL29580081 0.85 POLB (0.39) GRB2FAPCALCRLRAMP1DPP4
SCHEMBL31544467 0.85 APLNR (0.40) GRB2NAA50FAPPTPN1APLNR
SCHEMBL28890650 0.85 APLNR (0.40) GRB2NAA50FAPPTPN1APLNR
SCHEMBL4726312 0.85 APLNR (0.40) GRB2NAA50FAPPTPN1APLNR
SCHEMBL4726314 0.85 APLNR (0.40) GRB2NAA50FAPPTPN1APLNR
SCHEMBL29579502 0.84 ACE (0.43) GRB2FAPCALCRLRAMP1XIAP
SCHEMBL29832781 0.82 APLNR (0.38) GRB2NAA50FAPPTPN1APLNR
SCHEMBL31670614 0.81 CAPN1 (0.42) CALCRLXIAPPTPN1SLC6A2STAT3

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
CN-112876578-B Amphiphilic glucan derivative carrier targeting tumor-associated fibroblasts, and preparation and application of pharmaceutical composition of amphiphilic glucan derivative carrier 中国药科大学 2022-03-18 — — CN claimed
CN-112876578-B Amphiphilic glucan derivative carrier targeting tumor-associated fibroblasts, and preparation and application of pharmaceutical composition of amphiphilic glucan derivative carrier 中国药科大学 2022-03-18 — — CN disclosed
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