SCHEMBL9778463

SCHEMBL9778463

COc1ccc(C2OCCCO2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
LMNA P02545 3/20 0.47
APP P05067 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PRMT5 O14744 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CSF1R P07333 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL9778720 0.95 APP (0.53) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778943 0.95 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL9778645 0.92 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778687 0.90 APP (0.55) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18555689 0.82 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9586487 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL9585860 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL9778829 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12702768 0.77 RAB9A (0.48) PRMT5RAB9AKDM4ESMN1; SMN2BCHE
SCHEMBL9778530 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed