SCHEMBL8569992

SCHEMBL8569992

COc1ccc(CC(=O)O)c2[nH]c(C3CCCC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
ADORA3 P0DMS8 4/20 0.41
ADORA1 P30542 4/20 0.41
PBK Q96KB5 4/20 0.39
HSD17B10 Q99714 1/20 0.39
STING1 Q86WV6 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
AMY1A P0DUB6 1/20 0.37
ADORA2A P29274 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 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
SCHEMBL8572374 0.95 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1554160 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DADORA3
Hydrochloric Acid SCHEMBL8576071 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1553435 0.80 PDE4D (0.45) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL8575380 0.79 HSD17B10 (0.46) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL8572881 0.79 HSD17B10 (0.46) HSD17B10STING1AMY1AADORA2AKDM4E
SCHEMBL8576057 0.79 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1554161 0.79 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL2458459 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1552957 0.77 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DPBK

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
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed