SCHEMBL5141281

SCHEMBL5141281

CC1CC(c2cccc(O)c2O)c2cc(O)c(O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ADAMTS4 O75173 1/20 0.35
EGFR P00533 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FYN P06241 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA6 P23280 1/20 0.35
CDK2 P24941 1/20 0.35
MMP12 P39900 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL5146315 0.80 CETP (0.36) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL27792303 0.73 HTR2A (0.41) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL2401233 0.72 SLC22A12 (0.46) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL2401229 0.72 SLC22A12 (0.46) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL2401503 0.72 SLC22A12 (0.46) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL8739473 0.68 PARP1 (0.40) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL2398474 0.68 PARP1 (0.40) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL12268022 0.68 PARP1 (0.40) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL2398478 0.68 PARP1 (0.40) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL28306248 0.67 PARP1 (0.46) PARP1TP53CYP3A4MAPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893034-B8 PROCESSES FOR ISOLATING BITTER COMPOUNDS FOR USE IN FOOD AND BEVERAGE PRODUCTS FOLGER COFFEE CO (US) 2012-06-27 EP disclosed
EP-1893034-A2 PROCESSES FOR ISOLATING BITTER COMPOUNDS FOR USE IN FOOD AND BEVERAGE PRODUCTS The Procter and Gamble Company (US) 2008-03-05 EP disclosed
WO-2007002112-A2 PROCESSES FOR ISOLATING BITTER COMPOUNDS FOR USE IN FOOD AND BEVERAGE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO disclosed