SCHEMBL5387902

SCHEMBL5387902

CC(C)(C)OOC(=O)c1cc(C(=O)OO)ccc1C(=O)OO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 6/20 0.36
MAPK1 P28482 1/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
XDH P47989 1/20 0.31
CA9 Q16790 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
SCHEMBL5387898 0.90 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL29808239 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL3896346 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL32689847 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL81645 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL29361201 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL5397124 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18979835 0.84 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL8208627 0.83 KDM4E (0.41) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL2439254 0.82 TSHR (0.59) ALDH1A1HSD17B10TSHRTDP1MAPK1

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
US-7189488-B2 Polyimide precursor, manufacturing method thereof, and resin composition using polyimide precursor KANEKA CORPORATION (JP) 2007-03-13 US disclosed
US-20030149142-A1 Polyimide precursor, manufacturing method thereof, and resin composition using polyimide precursor KANEKA CORPORATION 2003-08-07 US disclosed