SCHEMBL11038751

SCHEMBL11038751

OCc1ccc(Cc2ccc(CO)c(CO)c2O)c(O)c1CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
PDXK O00764 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD4 P21917 1/20 0.37
SHBG P04278 1/20 0.34
HSPA5 P11021 1/20 0.33
ERBB2 P04626 1/20 0.33
PIM1 P11309 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL29493008 0.90 KDM4E (0.45) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL10912412 0.90 KDM4E (0.45) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL1525478 0.78 APOBEC3G (0.43) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL394135 0.76 ALDH1A1 (0.48) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL5468115 0.75 KDM4E (0.39) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL30274440 0.73 CYP1A2 (0.43) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL9153690 0.73 PRKCI (0.42) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL11406030 0.72 TYR (0.57) KDM4EALDH1A1HSD17B10SHBGLMNA
SCHEMBL23486766 0.72 GABRA1 (0.50) KDM4EALDH1A1HPGDHSD17B10SHBG
SCHEMBL124524 0.72 GABRA1 (0.50) KDM4EALDH1A1HPGDHSD17B10SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044260-B1 PROCESS FOR THE PREPARATION OF POLYPHENOLS OPTIONALLY SUBSTITUTED BY AN ALDEHYDE GROUP RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-11 EP disclosed
EP-0044260-A2 Process for the preparation of polyphenols optionally substituted by an aldehyde group RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-01-20 EP disclosed