SCHEMBL6990599

SCHEMBL6990599

CCOS(=O)(=O)c1ccc(C)c(-c2nc(-c3cccc(-c4cccs4)c3)oc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL6994309 0.91 MAPT (0.41) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL6705288 0.87 TARBP2 (0.39) KMT2ANPC1ALDH1A1RAB9AKDM4E
SCHEMBL5218987 0.84 TARBP2 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL6988862 0.84 PPARG (0.38) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6703700 0.83 TARBP2 (0.46) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL6986435 0.79 TARBP2 (0.46) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL28357540 0.78 ALDH1A1 (0.42) CA2CA9CA1KMT2AHDAC3
SCHEMBL27607598 0.76 MAPT (0.36) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL5208226 0.74 PPARA (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL6992531 0.73 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD

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-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed