SCHEMBL8574183

SCHEMBL8574183

COc1ccc(CC(=O)O)c2[nH]c(C(C)c3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
STING1 Q86WV6 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
AMY1A P0DUB6 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34
KEAP1 Q14145 1/20 0.34

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
SCHEMBL8571923 0.87 PDE4A (0.45) HSD17B10STING1PDE4APDE4BPDE4C
SCHEMBL8570001 0.86 HSD17B10 (0.36) HSD17B10STING1PTGDR2MEN1KMT2A
SCHEMBL8574265 0.85 TAS1R3 (0.37) HSD17B10STING1PTGDR2MEN1KMT2A
SCHEMBL8572847 0.84 PTGDR2 (0.41) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL1553545 0.82 PDE4A (0.41) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL8569838 0.82 HSD17B10 (0.37) HSD17B10STING1PTGDR2MEN1KMT2A
SCHEMBL8571803 0.81 PDE4A (0.42) HSD17B10MEN1KMT2APDE4APDE4B
SCHEMBL1554441 0.81 PDE4A (0.42) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL8569939 0.79 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1
SCHEMBL8571039 0.79 TNKS (0.50) HSD17B10STING1AMY1AADORA2A

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