SCHEMBL31258750

SCHEMBL31258750

NC(=O)CCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.52
P2RY14 Q15391 1/20 0.52
ALOX15 P16050 1/20 0.51
ACE P12821 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
IDO1 P14902 1/20 0.50
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
P4HB P07237 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL22322144 1.00 ERAP2 (0.52) ERAP2P2RY14ALOX15ACEMEN1
SCHEMBL2934308 1.00 ERAP2 (0.52) ERAP2P2RY14ALOX15ACEMEN1
SCHEMBL17848778 0.91 ACE (0.54) ERAP2P2RY14ALOX15ACEMEN1
SCHEMBL5805740 0.91 ACE (0.54) ERAP2P2RY14ALOX15ACEMEN1
SCHEMBL8525238 0.88 MEN1 (0.57) ERAP2P2RY14ALOX15ACEMEN1
SCHEMBL5281197 0.88 MEN1 (0.57) ERAP2P2RY14ALOX15ACEMEN1
Tryptamine SCHEMBL13278244 0.86 MPO (0.52) ERAP2P2RY14ALOX15ACEMEN1
SCHEMBL3344871 0.85 MC4R (0.55) ERAP2P2RY14ALOX15ACEITGB2
SCHEMBL7271569 0.85 MC4R (0.55) ERAP2P2RY14ALOX15ACEITGB2
SCHEMBL13278205 0.84 ALOX15 (0.70) ERAP2P2RY14ALOX15ACEMEN1

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
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO claimed
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO disclosed