SCHEMBL9749067

SCHEMBL9749067

CCOC(=O)COc1cc(OCc2ccccc2)ccc1C(=O)CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.57
HPGD P15428 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
MAOB P27338 2/20 0.54
NR1H4 Q96RI1 1/20 0.52
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL10547115 0.89 MAOB (0.62) ABCB1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL9749418 0.88 MAOB (0.59) HPGDRAB9ASMN1; SMN2NPC1MAOB
SCHEMBL28256912 0.87 MAOB (0.65) HPGDRAB9ASMN1; SMN2NPC1MAOB
SCHEMBL7914606 0.86 NPC1 (0.56) ABCB1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6187602 0.82 NR1H4 (0.64) HPGDRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL8436924 0.81 MAOB (0.55) HPGDRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL13720748 0.81 PPARA (0.62) HPGDRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL5098548 0.80 NPC1 (0.52) ABCB1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6700041 0.80 ABCB1 (0.53) ABCB1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL3927869 0.80 NPC1 (0.52) ABCB1HPGDRAB9ASMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed