SCHEMBL9709129

SCHEMBL9709129

C=CCOc1c(OC)cc(CCl)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42

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
SCHEMBL9709192 0.86 HSD17B10 (0.50) HSD17B10LMNANPSR1MAPTALDH1A1
SCHEMBL4879810 0.80 ALDH1A1 (0.56) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL20970915 0.80 HTR2A (0.66) HSD17B10LMNANPSR1MAPTALDH1A1
SCHEMBL5307529 0.78 HSD17B10 (0.43) HSD17B10LMNANPSR1MAPTALDH1A1
SCHEMBL5307526 0.78 HSD17B10 (0.43) HSD17B10LMNANPSR1MAPTALDH1A1
SCHEMBL25317242 0.77 ACHE (0.50) HSD17B10LMNANPSR1MAPTALDH1A1
SCHEMBL1706883 0.77 PTGS2 (0.64) MAPTPTGS2HTR2AHTR2CHTR2B
SCHEMBL15432994 0.76 MAOB (0.40) HSD17B10LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7457596 0.76 HSD17B10 (0.54) HSD17B10MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9709272 0.75 ALDH1A1 (0.53) LMNAMAPTALDH1A1SMN1; SMN2MEN1

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