SCHEMBL17354635

SCHEMBL17354635

COc1ccc(C)c(Oc2ccc(C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
AR P10275 3/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
AHR P35869 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 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
SCHEMBL5608759 0.88 GAA (0.55) ACHEARCA12CA1CA2
SCHEMBL14586639 0.88 AR (0.51) ACHEARTDP1LMNASMN1; SMN2
SCHEMBL7038743 0.86 LTA4H (0.57) ACHEARCA12CA1CA2
SCHEMBL1980701 0.85 SMN1; SMN2 (0.58) CA12CA1CA2CA7CA9
SCHEMBL14586634 0.84 AR (0.62) ACHEARCA12CA1CA2
SCHEMBL11786846 0.81 ACHE (0.50) ACHEARCA12CA1CA2
SCHEMBL22840074 0.81 SLC6A4 (0.40) ACHEARTDP1GAALMNA
SCHEMBL29837419 0.81 CA12 (0.65) ACHECA12CA1CA2CA7
SCHEMBL140807 0.81 CA12 (0.65) ACHECA12CA1CA2CA7
SCHEMBL25012128 0.79 ALDH1A1 (0.48) ACHEARTDP1ALDH1A1TEAD4

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-9216967-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2015-12-22 US disclosed