SCHEMBL19244875

SCHEMBL19244875

CC(C)(C)N(C(=O)O)C(CO)c1cccc(C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
GRIN2B Q13224 4/20 0.33
RIPK1 Q13546 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
GRIN1 Q05586 2/20 0.32
DAGLA Q9Y4D2 1/20 0.32
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 4/20 0.32
GAA P10253 1/20 0.31
TRPA1 O75762 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL15169777 0.86 OPRL1 (0.43) OPRM1OPRL1
SCHEMBL15229301 0.84 OPRK1 (0.41) KDM4EGAAOPRM1
SCHEMBL382057 0.84 ACP3 (0.43) RIPK1OPRM1OPRL1
SCHEMBL381185 0.84 ACP3 (0.47) ATMGAA
SCHEMBL15170368 0.84 ACP3 (0.47) ATMGAA
SCHEMBL19305426 0.84 RIPK1 (0.42) RIPK1KDM4EATMNR1H2NR1H3
SCHEMBL19305428 0.84 RIPK1 (0.42) RIPK1KDM4EATMNR1H2NR1H3
SCHEMBL531655 0.84 RIPK1 (0.42) RIPK1KDM4EATMNR1H2NR1H3
SCHEMBL17686018 0.77 MEN1 (0.40) RIPK1OPRM1OPRL1
SCHEMBL3340453 0.77 TDP1 (0.38) RIPK1KDM4E

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
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed