SCHEMBL8887372

SCHEMBL8887372

COc1cc(C(=O)OCCC(C)C)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
KDM4E B2RXH2 2/20 0.72
PKM P14618 2/20 0.72
POLB P06746 1/20 0.72
ALDH1A1 P00352 1/20 0.72
GAA P10253 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
HSD17B2 P37059 1/20 0.67
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
RAB9A P51151 1/20 0.55
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL28113734 0.89 HDAC6 (0.82) KMT2AKDM4EPKMPOLBALDH1A1
SCHEMBL1356516 0.88 KDM4E (0.85) KMT2AKDM4EPKMPOLBALDH1A1
SCHEMBL8889382 0.86 ALDH1A1 (0.57) KMT2AKDM4EPKMPOLBALDH1A1
SCHEMBL5691342 0.85 HSD17B2 (0.70) KMT2AKDM4EPKMPOLBALDH1A1
SCHEMBL31351859 0.85 HSD17B2 (0.70) KMT2AKDM4EPKMPOLBALDH1A1
SCHEMBL1354918 0.85 HDAC6 (0.97) KMT2AKDM4EPOLBHDAC6HSD17B2
SCHEMBL1354950 0.85 HDAC6 (0.91) KMT2AKDM4EPOLBHDAC6HSD17B2
SCHEMBL8887377 0.84 KMT2A (0.66) KMT2AKDM4EPKMPOLBALDH1A1
SCHEMBL25421686 0.84 KDM4E (0.78) KMT2AKDM4EPKMPOLBALDH1A1
SCHEMBL3366969 0.84 HDAC6 (1.00) KMT2AKDM4EPOLBHDAC6HSD17B2

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
US-5686406-A Vanillic acid ester perfuming agents RHONE-POULENC CHIMIE (FR) 1997-11-11 US claimed
WO-2023083884-A1 STABILIZERS BASED ON SYRINGIC ACID, VANILLIC ACID, ISOVANILLIC ACID OR 5-HYDROXYVERATRIC ACID, PLASTIC COMPOSITION, METHOD FOR STABILIZING A PLASTIC COMPOSITION AND STABILIZER COMPOSITION Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-05-19 WO disclosed
US-5686406-A Vanillic acid ester perfuming agents RHONE-POULENC CHIMIE (FR) 1997-11-11 US disclosed