SCHEMBL6301749

SCHEMBL6301749

Cc1ccc(COc2ccc(S(=O)(=O)c3ccc(OCC4(C)CO4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MMP1 P03956 3/20 0.47
MMP13 P45452 3/20 0.47
AR P10275 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
ADAM17 P78536 2/20 0.44
MMP9 P14780 1/20 0.44
PARP10 Q53GL7 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
PIR O00625 1/20 0.43
HPGD P15428 1/20 0.43
PTPRZ1 P23471 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8611881 0.91 PKM (0.49) MAOBHRH3HPGDPTPRZ1ALDH1A1
SCHEMBL31349 0.90 CA12 (0.52) MAOBMMP1MMP13ARADAM17
SCHEMBL9617970 0.86 MAOB (0.45) MAOBMMP1MMP13ARHRH3
SCHEMBL7720231 0.84 PKM (0.51) MMP9ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1144646 0.83 CA12 (0.45) MAOBARCA12CA1CA2
SCHEMBL9405446 0.81 CA12 (0.51) MAOBMMP1MMP13ARADAM17
SCHEMBL4461068 0.80 DRD2 (0.40) MAOBHPGDALDH1A1MAPT
SCHEMBL420238 0.79 MAOB (0.56) MAOBARHRH3PARP10PIR
SCHEMBL5707066 0.79 CA12 (0.43) MAOBMMP1MMP13ARPIR
SCHEMBL1228633 0.78 PTGS1 (0.51) MAOBMMP13ALDH1A1MAPTNPC1

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
US-6921740-B1 Electron-receiving compound and thermal recording material MITSUBISHI PAPER MIILS LTD. (JP) 2005-07-26 US disclosed