SCHEMBL19963571

SCHEMBL19963571

C=CC(=O)NC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NOS2 P35228 5/20 0.50
NOS3 P29474 3/20 0.50
NOS1 P29475 3/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KLK5 Q9Y337 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL19963577 0.89 NPSR1 (0.51) ALDH1A1NOS2NOS3NOS1KMT2A
SCHEMBL19951581 0.89 NPSR1 (0.56) ALDH1A1CYP2C9CYP2C19NOS2CYP3A4
SCHEMBL29867919 0.86 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19POLBCYP3A4
SCHEMBL12563720 0.85 ATM (0.56) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL9088879 0.85 ATM (0.62) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL7898727 0.85 ATM (0.62) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL12863012 0.81 ATM (0.63) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL11940456 0.81 ATM (0.63) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL20211752 0.81 ATM (0.63) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL25563934 0.80 KMT2A (0.57) MEN1KMT2A

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 3 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-2018048696-A1 FUNCTIONALIZED COPOLYMERS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-15 WO 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