SCHEMBL6046740

SCHEMBL6046740

CC(C)(C)Oc1ccc2c(c1)[CH]c1cc(OC(C)(C)C)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
GPR3 P46089 4/20 0.34
ABL1 P00519 1/20 0.31
RIPK1 Q13546 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PPARG P37231 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
SCHEMBL339833 0.76 KIF11 (0.42) KIF11GPR3ABL1PPARG
SCHEMBL7633767 0.75 CA1 (0.48) GPR3
SCHEMBL3820319 0.74 KIF11 (0.47) KIF11ABL1RIPK1SLC6A2SLC6A4
SCHEMBL26746 0.72 SLC6A2 (0.44) KIF11RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL29326125 0.72 MAPT (0.41) KIF11
SCHEMBL4889617 0.72 METAP1 (0.41) KIF11
SCHEMBL22871054 0.72 KIF11 (0.40) KIF11
SCHEMBL27712194 0.70 SLC6A2 (0.42) KIF11ABL1RIPK1SLC6A2SLC6A4
SCHEMBL3825533 0.70 CYP1A2 (0.44) KIF11ABL1RIPK1SLC6A2SLC6A4
SCHEMBL19638103 0.69 SCN5A (0.42) KIF11GPR3RIPK1SLC6A2SLC6A4

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
EP-1734061-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS, INC. (JP) 2006-12-20 EP disclosed