SCHEMBL16016273

SCHEMBL16016273

CC(C)(CC(=O)O)CC(C)(C)CN1C(=O)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.39
PTGS2 P35354 5/20 0.39
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MGLL Q99685 4/20 0.36
BLM P54132 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GMNN O75496 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
CYP2C19 P33261 3/20 0.36
HIF1A Q16665 3/20 0.36
WRN Q14191 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL18406642 0.86 MGLL (0.36) PTGS1PTGS2MGLLBLMALDH1A1
SCHEMBL18406643 0.85 MGLL (0.35) PTGS1PTGS2MGLLBLMALDH1A1
SCHEMBL23900539 0.78 MGLL (0.46) PTGS1PTGS2MGLLBLMALDH1A1
SCHEMBL23900909 0.77 MGLL (0.44) PTGS1PTGS2MGLLBLMALDH1A1
SCHEMBL22399174 0.77 MGLL (0.52) PTGS1PTGS2MGLLBLMALDH1A1
SCHEMBL26210982 0.76 BLM (0.33) MGLLBLMALDH1A1LMNAMAPT
SCHEMBL21320513 0.76 MGLL (0.37) PTGS1PTGS2KDM4EMGLLBLM
SCHEMBL27394996 0.75 ALDH1A1 (0.35) BLMALDH1A1CYP2C19HIF1AWRN
SCHEMBL23900609 0.75 BLM (0.42) PTGS1PTGS2MGLLBLMALDH1A1
SCHEMBL557257 0.74 KDM4E (0.59) KDM4EFFAR1CPT2TDP1ALDH1A1

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-2320954-B1 DIAGNOSTIC AGENTS SELECTIVE AGAINST METALLOPROTEASES BRACCO IMAGING SPA (IT) 2019-09-04 EP disclosed
EP-1853605-B1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING SPA (IT) 2014-09-10 EP disclosed