SCHEMBL19963577

SCHEMBL19963577

C=CC(=O)NC(C)(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 1/20 0.51
MDM4 O15151 1/20 0.50
MDM2 Q00987 1/20 0.50
LNPEP Q9UIQ6 3/20 0.47
TSHR P16473 1/20 0.47
NLRP3 Q96P20 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NOS2 P35228 3/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LY96 Q9Y6Y9 1/20 0.42
KDR P35968 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MIF P14174 1/20 0.42
ERAP2 Q6P179 2/20 0.41
ERAP1 Q9NZ08 1/20 0.41

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
SCHEMBL19963571 0.89 ATM (0.52) KMT2ANOS2NOS3NOS1ALDH1A1
SCHEMBL19951565 0.88 FOLH1 (0.50) NPSR1ALDH1A1
SCHEMBL30374583 0.86 GRIA1 (0.39) NPSR1KMT2AMDM4MDM2ALDH1A1
SCHEMBL30511873 0.85 NPSR1 (0.56) NPSR1KMT2AMDM4MDM2LNPEP
SCHEMBL27854966 0.85 NPSR1 (0.56) NPSR1KMT2AMDM4MDM2LNPEP
SCHEMBL12863003 0.81 MDM4 (0.60) NPSR1KMT2AMDM4MDM2LNPEP
SCHEMBL19963651 0.79 CYP2C9 (0.33) KMT2ATSHRALDH1A1
SCHEMBL19951581 0.78 NPSR1 (0.56) NPSR1KMT2ANOS2ALDH1A1
SCHEMBL28582286 0.77 MDM4 (0.58) NPSR1KMT2AMDM4MDM2LNPEP
SCHEMBL28582287 0.77 MDM4 (0.58) NPSR1KMT2AMDM4MDM2LNPEP

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
EP-3510041-B1 PROCESSES FOR SEPARATING AGGREGATED PROTEINS FROM MONOMERIC PROTEINS IN A BIOLOGICAL SOLUTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-05-31 EP disclosed
WO-2018048698-A1 PROCESSES FOR SEPARATING AGGREGATED PROTEINS FROM MONOMERIC PROTEINS IN A BIOLOGICAL SOLUTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-15 WO disclosed