SCHEMBL18172254

SCHEMBL18172254

O=c1ccc2c(-c3c(O)c(O)cc4oc(=O)ccc34)c(O)c(O)cc2o1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.81
MGAM O43451 6/20 0.81
SI P14410 6/20 0.81
MGAM2 Q2M2H8 6/20 0.81
MCL1 Q07820 7/20 0.58
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
CYP3A4 P08684 3/20 0.54
MAPT P10636 2/20 0.54
CYP2A6 P11509 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 5/20 0.53
AKR1B1 P15121 5/20 0.53
CA9 Q16790 5/20 0.53
HSD17B10 Q99714 4/20 0.53
CA12 O43570 3/20 0.53
GLA P06280 3/20 0.53
CASP1 P29466 3/20 0.53
CASP7 P55210 3/20 0.53
ERAP1 Q9NZ08 3/20 0.53

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
SCHEMBL1860857 0.74 ALDH1A1 (0.72) GAAMGAMSIMGAM2MCL1
SCHEMBL29859562 0.74 ALDH1A1 (0.72) GAAMGAMSIMGAM2MCL1
SCHEMBL30498930 0.74 ALDH1A1 (0.55) GAAMGAMSIMGAM2MCL1
SCHEMBL30388804 0.72 ALDH1A1 (0.53) GAAMGAMSIMGAM2MCL1
SCHEMBL6783654 0.72 ALDH1A1 (0.53) GAAMGAMSIMGAM2MCL1
SCHEMBL27886615 0.72 ALDH1A1 (0.58) GAAMGAMSIMGAM2MCL1
SCHEMBL29779951 0.72 KDM4E (0.60) GAAMGAMSIMGAM2MCL1
SCHEMBL21623725 0.72 KDM4E (0.60) GAAMGAMSIMGAM2MCL1
SCHEMBL15842663 0.71 GAA (0.46) GAAMGAMSIMGAM2MCL1
Bergaptol SCHEMBL31097369 0.70 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4MAPTCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219526-A1 MULTITARGET ANTIVIRAL DIETARY SUPPLEMENT PROKIN MILAN (RS) 2023-11-16 WO claimed
US-20230190704-A1 DRUG DELIVERY SYSTEM BASED ON CALCIUM PHOSPHATE NANOPARTICLES FUNCTIONALIZED WITH BIOACTIVE COMPOUNDS FROM EUPHORBIA EXTRACT AND THE USES THEREOF UNIVERSIDAD DE GRANADA (ES) 2023-06-22 US claimed
EP-4153204-A1 DRUG DELIVERY SYSTEM BASED ON CALCIUM PHOSPHATE NANOPARTICLES FUNCTIONALIZED WITH BIOACTIVE COMPOUNDS FROM EUPHORBIA EXTRACT AND THE USES THEREOF Cellbitec, S.L. (ES) 2023-03-29 EP claimed
WO-2016169573-A1 SESQUITERPENE LACTONES AS POTENT AND BROAD SPECTRUM ANTIVIRAL COMPOUNDS AGAINST ALL GENOTYPES OF HEPATITIS C VIRUS (HCV) ELSEBAI MAHMOUD FAHMI (EG) 2016-10-27 WO claimed
WO-2023219526-A1 MULTITARGET ANTIVIRAL DIETARY SUPPLEMENT PROKIN MILAN (RS) 2023-11-16 WO disclosed
US-20230190704-A1 DRUG DELIVERY SYSTEM BASED ON CALCIUM PHOSPHATE NANOPARTICLES FUNCTIONALIZED WITH BIOACTIVE COMPOUNDS FROM EUPHORBIA EXTRACT AND THE USES THEREOF UNIVERSIDAD DE GRANADA (ES) 2023-06-22 US disclosed
US-20230190704-A1 DRUG DELIVERY SYSTEM BASED ON CALCIUM PHOSPHATE NANOPARTICLES FUNCTIONALIZED WITH BIOACTIVE COMPOUNDS FROM EUPHORBIA EXTRACT AND THE USES THEREOF UNIVERSIDAD DE GRANADA (ES) 2023-06-22 US disclosed
EP-4153204-A1 DRUG DELIVERY SYSTEM BASED ON CALCIUM PHOSPHATE NANOPARTICLES FUNCTIONALIZED WITH BIOACTIVE COMPOUNDS FROM EUPHORBIA EXTRACT AND THE USES THEREOF Cellbitec, S.L. (ES) 2023-03-29 EP disclosed
EP-4153204-A1 DRUG DELIVERY SYSTEM BASED ON CALCIUM PHOSPHATE NANOPARTICLES FUNCTIONALIZED WITH BIOACTIVE COMPOUNDS FROM EUPHORBIA EXTRACT AND THE USES THEREOF Cellbitec, S.L. (ES) 2023-03-29 EP disclosed