SCHEMBL9709192

SCHEMBL9709192

C=CCOc1c(OC)cc(CO)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 6/20 0.46
CYP2D6 P10635 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
PTGS1 P23219 3/20 0.45
PTGS2 P35354 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL25364723 0.87 LMNA (0.40) HSD17B10MGAMGAASIMGAM2
SCHEMBL9709129 0.86 HSD17B10 (0.50) HSD17B10MGAMGAASIMGAM2
SCHEMBL18265474 0.81 MAPT (0.51) HSD17B10MGAMGAASIMGAM2
SCHEMBL4877099 0.80 ALDH1A1 (0.56) GAAALDH1A1CYP2D6LMNAMAPT
SCHEMBL168322 0.80 ALDH1A1 (0.64) GAAALDH1A1CYP2D6LMNAMAPT
SCHEMBL20970915 0.80 HTR2A (0.66) HSD17B10TSHRALDH1A1LMNANPSR1
SCHEMBL8965944 0.78 HTR2A (0.62) HSD17B10ALOX15TSHRALDH1A1CYP2D6
SCHEMBL5307529 0.78 HSD17B10 (0.43) HSD17B10ALDH1A1LMNANPSR1MAPT
SCHEMBL5307526 0.78 HSD17B10 (0.43) HSD17B10ALDH1A1LMNANPSR1MAPT
SCHEMBL25317242 0.77 ACHE (0.50) HSD17B10MGAMGAASIMGAM2

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
EP-0471516-A1 Tricyclic heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-19 EP disclosed