SCHEMBL6522175

SCHEMBL6522175

C=C(C(=O)O)C(CC)(CC(=O)OC(C)c1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LPAR1 Q92633 1/20 0.35
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
FFAR1 O14842 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 3/20 0.32
KLK7 P49862 1/20 0.32
POLB P06746 1/20 0.32
CTSK P43235 2/20 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
SCHEMBL6513813 0.93 HCAR2 (0.42) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL6521135 0.86 ALDH1A1 (0.37) HCAR2MAPTKDM4ELPAR1LTB4R
SCHEMBL6520872 0.80 PTGS2 (0.34) MAPT
SCHEMBL6518104 0.76 GPR139 (0.38) HCAR2MAPTKDM4ELPAR1ALDH1A1
SCHEMBL16673279 0.74 HCAR2 (0.50) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL6517405 0.74 POLB (0.40) MAPTKDM4EALDH1A1POLB
SCHEMBL8650508 0.73 HCAR2 (0.49) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL9231000 0.72 HCAR2 (0.54) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL538486 0.72 HCAR2 (0.54) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL6947823 0.71 MAPT (0.51) HCAR2MAPTKDM4ELPAR1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed