SCHEMBL14263358

SCHEMBL14263358

BC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.55
▸ PPARG P37231 2/20 0.53
▸ MME P08473 7/20 0.50
▸ ACE P12821 7/20 0.49
▸ ACE2 Q9BYF1 6/20 0.49
▸ CPA1 P15085 4/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA1 P00915 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NAALAD2 Q9Y3Q0 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
SCHEMBL4468791 0.87 MME (0.63) PTPN1MMEACEACE2CPA1
SCHEMBL13537467 0.87 MME (0.63) PTPN1MMEACEACE2CPA1
SCHEMBL5943645 0.87 MME (0.63) PTPN1MMEACEACE2CPA1
SCHEMBL10626666 0.85 LMNA (0.56) PTPN1PPARGMMEACEACE2
SCHEMBL10622597 0.85 LMNA (0.56) PTPN1PPARGMMEACEACE2
SCHEMBL2615852 0.85 LMNA (0.56) PTPN1PPARGMMEACEACE2
SCHEMBL2099399 0.81 NPSR1 (0.56) PTPN1PPARGMMEACEACE2
SCHEMBL2099396 0.81 NPSR1 (0.56) PTPN1PPARGMMEACEACE2
SCHEMBL28470379 0.80 PPARG (0.72) PTPN1PPARG
SCHEMBL9005835 0.78 PPARA (0.74) PTPN1PPARGACE

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-7348437-B2 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-03-25 — — US disclosed
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