SCHEMBL8858005

SCHEMBL8858005

C=CC(=O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.79
HDAC3 O15379 1/20 0.62
ADAM17 P78536 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
CYP1A1 P04798 5/20 0.55
CYP1B1 Q16678 5/20 0.55
P4HB P07237 1/20 0.55
MAOB P27338 7/20 0.53
MAOA P21397 3/20 0.51
TGM2 P21980 1/20 0.49
HSD11B1 P28845 1/20 0.48

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
SCHEMBL8858000 1.00 CYP1A2 (0.79) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL8781296 0.89 CYP1A2 (1.00) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL8781291 0.89 CYP1A2 (1.00) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL31258594 0.89 CYP1A2 (1.00) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL28739875 0.82 CYP1A2 (0.86) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL11971119 0.82 CYP1A2 (0.86) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL11971113 0.82 CYP1A2 (0.86) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL10467116 0.81 CYP1A2 (0.83) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL20586571 0.81 CYP1A2 (0.77) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL610559 0.81 CYP1A2 (0.77) CYP1A2HDAC3ADAM17HDAC1HDAC2

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-5607682-A APPLYING SUBSTITUTED AMIDINO HYDRAZONE BAIT AND STIMULANT OF ANIMAL PROTEIN, VEGETABLE PROTEIN, GRAIN FOOD, AND OPTIONAL OTHER INGREDIENTS THE CLOROX COMPANY (US) 1997-03-04 US disclosed