SCHEMBL5146315

SCHEMBL5146315

CC1CC(c2cccc(O)c2O)c2c1ccc(O)c2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 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

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
SCHEMBL5141281 0.80 ALDH1A1 (0.35) CHRNB2CHRNA4ALDH1A1LMNAHPGD
SCHEMBL8739473 0.78 PARP1 (0.40) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL2398478 0.78 PARP1 (0.40) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL12268022 0.78 PARP1 (0.40) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL27792303 0.69 HTR2A (0.41) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11883204 0.67 CHRNB2 (0.42) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL25608620 0.64 ALDH1A1 (0.50) CHRNB2CHRNA4ALDH1A1LMNAHPGD
SCHEMBL7536670 0.63 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1LMNAHPGD
SCHEMBL15846513 0.62 PIN1 (0.47) CETPCA1CA2TAS1R3TAS1R1
SCHEMBL7538365 0.61 ALDH1A1 (0.45) CHRNB2CHRNA4ALDH1A1LMNAHPGD

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 6 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 claimed
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 claimed
WO-2007002112-A2 PROCESSES FOR ISOLATING BITTER COMPOUNDS FOR USE IN FOOD AND BEVERAGE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO claimed
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