SCHEMBL10064795

SCHEMBL10064795

CCC(C)(OC)c1cccc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
ACHE P22303 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAOB P27338 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ENPP2 Q13822 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3435840 0.81 KIF11 (0.46) KIF11ACHECA1CA2CA7
SCHEMBL13930875 0.81 KIF11 (0.46) KIF11ACHECA1CA2CA7
SCHEMBL8210845 0.81 KIF11 (0.49) KIF11ACHECA1CA2CA7
SCHEMBL11468347 0.79 LMNA (0.50) KIF11CES2CES1MAPT
SCHEMBL18574318 0.79 KIF11 (0.44) KIF11ACHECA1CA2CA7
SCHEMBL13815894 0.79 KIF11 (0.44) KIF11ACHECA1CA2CA7
SCHEMBL20097903 0.78 ACHE (0.50) KIF11ACHECA1CA2CA7
SCHEMBL14919359 0.77 ACHE (0.48) KIF11ACHECA1CA2CA7
SCHEMBL1774346 0.77 MAPK1 (0.44) ALDH1A1TAAR1CES1
SCHEMBL8408204 0.77 ACHE (0.52) KIF11ACHECA1CA2CA7

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-20120031831-A1 HOLLOW-FIBER ELEMENT FOR ORGANIC-VAPOR SEPARATION UBE INDUSTRIES, LTD. (JP) 2012-02-09 US disclosed