SCHEMBL5568616

SCHEMBL5568616

O=C(O)[C@H]1Cc2c(ccc3c2OCO3)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AOC3 Q16853 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
NQO2 P16083 1/20 0.32
TXNRD1 Q16881 1/20 0.32

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
SCHEMBL5567729 0.83 KDM4E (0.36) MAPTGAAKDM4EHSD17B10ALOX15
SCHEMBL10910494 0.72 MAPT (0.51) MAPTGAAKDM4EHSD17B10ALOX15
SCHEMBL533193 0.69 MAPT (0.44) MAPTGAAKDM4EHSD17B10ALDH1A1
SCHEMBL9408601 0.68 MAPT (0.46) MAPTGAAKDM4EHSD17B10ALDH1A1
SCHEMBL7035864 0.68 KDM4E (0.34) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL12620402 0.67 GAA (0.45) MAPTGAA
SCHEMBL27515096 0.67 GAA (0.45) MAPTGAAHSD17B10ALDH1A1HPGD
SCHEMBL27375830 0.67 GAA (0.45) MAPTGAAHSD17B10ALDH1A1HPGD
SCHEMBL27479513 0.67 GAA (0.45) MAPTGAA
SCHEMBL7132853 0.67 MAPT (0.53) MAPTGAAKDM4EHSD17B10ALDH1A1

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-1042288-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS INST NAT SANTE RECH MED (FR) 2007-11-07 EP disclosed
US-6335360-B1 INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-01 US disclosed