SCHEMBL4743152

SCHEMBL4743152

CC(=O)c1ccc(Oc2ccc(OC3=CC[CH]C=C3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 1/20 0.58
ESRRA P11474 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MAOB P27338 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.38
STS P08842 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL4740832 0.91 MAPT (0.47) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL19446390 0.81 HPGD (0.56) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL203697 0.76 HPGD (1.00) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL3301210 0.76 HPGD (1.00) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL9789228 0.70 MAPT (0.86) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL22741746 0.70 ELANE (0.35) HPGDMAPTRAB9AESRRASMN1; SMN2
SCHEMBL9999838 0.69 MAPT (0.83) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL903435 0.69 MAPT (0.83) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL13599772 0.69 MAPT (0.83) HPGDMAPTRAB9AESRRAL3MBTL1
SCHEMBL4100319 0.69 HPGD (0.83) HPGDMAPTRAB9AESRRAL3MBTL1

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