SCHEMBL30997445

SCHEMBL30997445

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.48
▸ SLC6A2 P23975 1/20 0.45
▸ CTSB P07858 1/20 0.44
▸ ACE P12821 6/20 0.44
▸ REN P00797 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PEPD P12955 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL29512282 0.88 CAPN1 (0.51) CAPN1SLC6A2CTSBACEREN
SCHEMBL29434627 0.86 CAPN1 (0.51) CAPN1SLC6A2CTSBACEREN
SCHEMBL29894803 0.85 ACE (0.52) CAPN1ACERENKDM4EF2
SCHEMBL30744250 0.85 XIAP (0.51) ACERENKDM4EF2LMNA
SCHEMBL29836001 0.85 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL31693563 0.84 CAPN1 (0.49) CAPN1SLC6A2CTSBACEREN
SCHEMBL30997407 0.83 CAPN1 (0.53) CAPN1CTSBACERENKDM4E
SCHEMBL30272477 0.82 ACE (0.47) CAPN1ACERENKDM4EF2
SCHEMBL31039949 0.81 ACE (0.49) SLC6A2ACERENKDM4EF2
SCHEMBL30575179 0.81 ACE (0.45) CAPN1ACERENKDM4EF2

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
US-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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