SCHEMBL6530371

SCHEMBL6530371

CC(C)CCC1(C)C(=O)C=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.32
KIF11 P52732 1/20 0.32
MMP9 P14780 1/20 0.31
P2RX4 Q99571 1/20 0.31
CETP P11597 1/20 0.30

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
SCHEMBL6516819 0.83 ALDH1A1 (0.36) KDM4EPKMALDH1A1KIF11MMP9
SCHEMBL4000062 0.72 DHODH (0.39) KDM4EALDH1A1
SCHEMBL4988260 0.72 DHODH (0.39) KDM4EALDH1A1
SCHEMBL4991319 0.72 DHODH (0.39) KDM4EALDH1A1
SCHEMBL4235643 0.70 PDK2 (0.41) KDM4EPKMALDH1A1KIF11
SCHEMBL29141695 0.69 DHODH (0.41) ALDH1A1MMP9
SCHEMBL8461309 0.67 KDM4E (0.41) KDM4EPKMALDH1A1KIF11P2RX4
SCHEMBL11845488 0.67 KDM4E (0.38) KDM4EPKMALDH1A1KIF11P2RX4
SCHEMBL6508352 0.67 KDM4E (0.38) KDM4EPKMALDH1A1KIF11MMP9
SCHEMBL13543321 0.65 KDM4E (0.40) KDM4EPKMKIF11

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
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 WO claimed