SCHEMBL31031505

SCHEMBL31031505

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.59
▸ ACE P12821 2/20 0.53
▸ KISS1R Q969F8 2/20 0.52
▸ NPBWR1 P48145 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ OPRM1 P35372 2/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ ECE1 P42892 7/20 0.50
▸ IL1RN P18510 1/20 0.50
▸ ERAP1 Q9NZ08 1/20 0.50
▸ ERBB2 P04626 1/20 0.49

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
SCHEMBL29377160 0.92 ACE (0.62) ACEKDM4EMEN1LMNAMPO
SCHEMBL31018948 0.91 ERAP2 (0.66) ERAP2KISS1RNPBWR1ECE1IL1RN
SCHEMBL9799753 0.90 ERAP2 (0.67) ERAP2ACEECE1
SCHEMBL9799741 0.90 ERAP2 (0.67) ERAP2ACEECE1
SCHEMBL31031484 0.89 ERAP2 (0.52) ERAP2ACEKISS1ROPRM1OPRD1
SCHEMBL30772212 0.88 ERAP2 (0.64) ERAP2ACEOPRM1OPRD1ECE1
SCHEMBL30789083 0.88 ERAP2 (0.62) ERAP2KISS1RNPBWR1IL1RNERAP1
SCHEMBL29384524 0.88 ERAP2 (0.68) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL29384133 0.88 KDM4E (0.65) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL30839328 0.87 ERAP2 (0.73) ERAP2ACEKDM4EMEN1LMNA

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
WO-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO claimed
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