SCHEMBL7127829

SCHEMBL7127829

CCCCc1cc(C=O)cc(OC)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.59
PTGS2 P35354 6/20 0.57
KDM4E B2RXH2 1/20 0.49
PTGS1 P23219 2/20 0.48
ALDH1A1 P00352 3/20 0.45
TRIM24 O15164 1/20 0.45
HPGD P15428 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
PTGES O14684 1/20 0.43
NFKB1 P19838 1/20 0.43
STAT3 P40763 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
EGFR P00533 1/20 0.43
AOX1 Q06278 1/20 0.41
TSHR P16473 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL5663406 0.91 ALOX5 (0.56) ALOX5PTGS2KDM4EPTGS1ALDH1A1
SCHEMBL8942444 0.85 ALOX5 (0.56) ALOX5PTGS2KDM4EPTGS1ALDH1A1
SCHEMBL3987666 0.85 EGFR (0.54) ALOX5PTGS2KDM4EALDH1A1HPGD
SCHEMBL929915 0.82 ALDH1A1 (0.51) ALOX5PTGS2KDM4EPTGS1ALDH1A1
SCHEMBL8155224 0.81 ALDH1A1 (0.50) ALOX5PTGS2KDM4EPTGS1ALDH1A1
SCHEMBL8165885 0.81 ALOX5 (0.49) ALOX5PTGS2KDM4EPTGS1ALDH1A1
Syringaldehyde SCHEMBL28642631 0.80 ALDH1A1 (0.60) PTGS2KDM4EPTGS1ALDH1A1TRIM24
SCHEMBL1134607 0.80 KDM4E (0.49) ALOX5PTGS2KDM4EPTGS1ALDH1A1
SCHEMBL28880304 0.79 KDM4E (0.47) ALOX5PTGS2KDM4EPTGS1ALDH1A1
SCHEMBL7196531 0.79 ALDH1A1 (0.47) ALOX5ALDH1A1TRIM24HPGDALDH5A1

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
US-6660724-B1 Aminophosphonates alpha substituted by phenol; lipoprotein lowering activity ILEX PRODUCTS, INC. 2003-12-09 US disclosed
US-6060464-A Compounds and pharmaceutical compositions containing them SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-09 US disclosed
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP disclosed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO disclosed