SCHEMBL4981920

SCHEMBL4981920

CC(C)c1cccc(C(C)(C)C(C)(C)c2cccc(C(C)C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX12 P18054 2/20 0.44
HTT P42858 2/20 0.44
MDM4 O15151 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TYR P14679 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CA5A P35218 1/20 0.44
MDM2 Q00987 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44

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
Water SCHEMBL9544973 0.90 KIF11 (0.45) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL25767197 0.88 PDE2A (0.47) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL598661 0.86 KIF11 (0.49) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL16191335 0.86 KIF11 (0.49) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL24270379 0.83 KIF11 (0.46) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL20963009 0.83 KIF11 (0.46) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL31095742 0.83 KIF11 (0.46) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL8968762 0.83 KIF11 (0.50) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL10199855 0.83 PTPN5 (0.49) KIF11HDAC4HDAC8KDM4EALDH1A1
SCHEMBL3370465 0.83 KIF11 (0.46) KIF11HDAC4HDAC8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358411-B2 Hydrocracking of diphenylalkanes SHELL OIL COMPANY (US) 2008-04-15 US claimed
EP-1648847-A2 HYDROCRACKING OF DIPHENYLALKANES Shell Internationale Research Maatschappij B.V. (NL) 2006-04-26 EP claimed
US-20050049446-A1 Hydrocracking of diphenylalkanes SHELL OIL COMPANY 2005-03-03 US claimed
WO-2005005351-A2 HYDROCRAKING OF DIPHENYLALKANES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-01-20 WO claimed