SCHEMBL4740832

SCHEMBL4740832

CC(=O)c1ccc(Oc2ccc3ccc(OC4=CC[CH]C=C4)cc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
ESRRA P11474 1/20 0.41
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN9A Q15858 1/20 0.41
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CYP2A6 P11509 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 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
SCHEMBL4743152 0.91 HPGD (0.58) MAPTHPGDRAB9AESRRASMN1; SMN2
SCHEMBL4787074 0.81 HPGD (0.73) MAPTHPGDRAB9AESRRASCN7A
SCHEMBL4377200 0.79 KMT2A (0.39) MAPTHPGDALDH1A1GLAGAA
SCHEMBL9619696 0.78 HPGD (0.79) MAPTHPGDRAB9AESRRASCN7A
SCHEMBL19446390 0.73 HPGD (0.56) MAPTHPGDRAB9AESRRASMN1; SMN2
SCHEMBL9619566 0.72 MAPT (0.68) MAPTHPGDRAB9AESRRASCN7A
SCHEMBL9619563 0.70 RAB9A (0.66) MAPTHPGDRAB9AESRRASCN7A
SCHEMBL3301210 0.69 HPGD (1.00) MAPTHPGDRAB9AESRRASMN1; SMN2
SCHEMBL203697 0.69 HPGD (1.00) MAPTHPGDRAB9AESRRASMN1; SMN2
SCHEMBL3719405 0.68 MAPT (0.60) MAPTHPGDRAB9AESRRACYP2A6

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-2008099415-A1 NOVEL SUBSTITUTED BIS-1, 2, 4-TRIOXANES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-08-21 WO disclosed