SCHEMBL670966

SCHEMBL670966

COc1ccc2c(C=O)nn(C(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ERN1 O75460 1/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
ELANE P08246 1/20 0.38
PTGER1 P34995 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 1/20 0.38
DYRK1A Q13627 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGER4 P35408 1/20 0.37
HTR3A P46098 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL13793993 0.83 ALDH1A1 (0.41) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL12090345 0.80 ALDH1A1 (0.54) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL14117773 0.78 ALDH1A1 (0.49) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL788386 0.78 PDGFRA (0.48) ALDH1A1ERN1ELANE
SCHEMBL13794510 0.78 ALDH1A1 (0.49) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL10283795 0.76 ALDH1A1 (0.47) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL5331216 0.74 ELANE (0.43) KDM4CELANEKDM4EHSD17B10
SCHEMBL673690 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTDYRK1AMAPK1
SCHEMBL14963448 0.74 ALDH1A1 (0.45) ALDH1A1ERN1KDM4EMAPTPTGER4
SCHEMBL5951228 0.73 MAP2K4 (0.39) ALDH1A1ERN1ELANEKDM4EPTGER4

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-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed