SCHEMBL7555648

SCHEMBL7555648

COc1c(O)c(C)c2c(c1OC)OC(C)(CCCCC(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH1 P20839 11/20 0.42
ALOX5 P09917 3/20 0.38
PTPN1 P18031 1/20 0.37
GSTO1 P78417 1/20 0.37
NR1I2 O75469 1/20 0.36
PSEN1 P49768 2/20 0.35
IMPDH2 P12268 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
UGT2B7 P16662 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
AKT1 P31749 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
SCHEMBL7557553 0.83 GLA (0.40) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL16274006 0.80 ALOX5 (0.53) IMPDH1ALOX5PTPN1GSTO1NR1I2
SCHEMBL7554694 0.79 IMPDH2 (0.32) IMPDH1NR1I2IMPDH2LMNAMAPT
SCHEMBL7555671 0.77 CYP4F2 (0.37) NR1I2KDM4EALDH1A1LMNAHPGD
SCHEMBL7559409 0.74 MEN1 (0.41) IMPDH1ALOX5PTPN1GSTO1PSEN1
SCHEMBL10757643 0.70 ALOX5 (0.45) ALOX5PTPN1GSTO1NR1I2PSEN1
SCHEMBL8600719 0.66 PTGS1 (0.51) ALOX5NR1I2LMNACYP1A2CYP3A4
SCHEMBL7556343 0.66 SLC18A3 (0.39) ALDH1A1
SCHEMBL7555606 0.66 MEN1 (0.40) IMPDH1ALOX5IMPDH2
SCHEMBL7557855 0.66 MEN1 (0.40) IMPDH1ALOX5IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846109-B1 QUINONE COMPOUND, ITS PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-07-24 EP disclosed
US-6011046-A Quinone compound, its production and use as antioxidant TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-04 US disclosed
EP-0846109-A1 QUINONE COMPOUND, ITS PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-06-10 EP disclosed
WO-1997007109-A1 QUINONE COMPOUND, ITS PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-27 WO disclosed