SCHEMBL20145965

SCHEMBL20145965

C=CCCc1ccc(C(=O)O)c(C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
GRM1 Q13255 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SELP P16109 2/20 0.34
SELL P14151 1/20 0.34
TYR P14679 1/20 0.34
SELE P16581 1/20 0.33
MYC P01106 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CXCL12 P48061 1/20 0.33
MAPT P10636 2/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL16035544 0.84 GABRA1 (0.43) SLC22A6SLC22A8GRM1HPGDALDH1A1
SCHEMBL31411955 0.73 GLA (0.45) GRM1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL28058314 0.72 GPR52 (0.49) ALDH1A1MAPT
SCHEMBL4430320 0.71 FOLH1 (0.59) HMGB1HPGDALDH1A1KDM4EMAPT
SCHEMBL28844937 0.71 KDM4E (0.37) SLC22A6SLC22A8ALDH1A1KDM4EHSD17B10
SCHEMBL8895803 0.71 KDM4E (0.43) SLC22A6SLC22A8KDM4EHSD17B10
Hydrogen Sulfide SCHEMBL27554346 0.70 L3MBTL1 (0.43) ALDH1A1KDM4EHSD17B10MYCL3MBTL1
SCHEMBL14303113 0.70 HMGB1 (0.45) HMGB1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14092931 0.70 AKR1C3 (0.44) KDM4EHSD17B10PTPN1
SCHEMBL8772614 0.69 SLC22A6 (0.44) SLC22A6SLC22A8HPGDALDH1A1KDM4E

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
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed