SCHEMBL10693419

SCHEMBL10693419

CC(C)(CCC(=O)OOOC(C)(C)c1ccccc1)C(=O)OOOC(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 2/20 0.36
KCNN4 O15554 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
CHRM2 P08172 6/20 0.33
CHRM4 P08173 6/20 0.33
CHRM5 P08912 6/20 0.33
CHRM1 P11229 6/20 0.33
CHRM3 P20309 6/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33

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
SCHEMBL10695895 0.84 CYP2D6 (0.37) MAPK1HIF1APOLBMAPTSMN1; SMN2
SCHEMBL8806657 0.83 MAPK1 (0.42) MAPK1ALDH1A1ALOX15CYP2C19KCNN4
SCHEMBL10694023 0.82 KIF11 (0.36) ALDH1A1ALOX15TDP1MAPTSMN1; SMN2
SCHEMBL9842510 0.82 MAPK1 (0.50) MAPK1ALDH1A1ALOX15CYP2C19KCNN4
SCHEMBL6243864 0.80 MAPK1 (0.55) MAPK1ALDH1A1ALOX15CYP2C19KCNN4
SCHEMBL17239837 0.79 MAPK1 (0.50) MAPK1ALDH1A1ALOX15CYP2C19KCNN4
SCHEMBL5184632 0.79 MAPK1 (0.43) MAPK1ALDH1A1ALOX15CYP2C19KCNN4
SCHEMBL739397 0.78 ALDH1A1 (0.31) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL10693191 0.77 MAPK1 (0.52) MAPK1ALDH1A1ALOX15CYP2C19KCNN4
SCHEMBL30317420 0.77 MAPK1 (0.52) MAPK1ALDH1A1ALOX15CYP2C19KCNN4

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-0266966-A2 Novel peroxymonocarbonate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-05-11 EP disclosed