SCHEMBL2012828

SCHEMBL2012828

CC(C)(C)c1cccc(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.34
TACR1 P25103 1/20 0.33
ACHE P22303 2/20 0.32
BCHE P06276 2/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
BACE1 P56817 5/20 0.31
CTSD P07339 3/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
KIF11 P52732 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
SCHEMBL2015152 0.82 KDM1A (0.35) CCR9ACHEBCHEOPRM1OPRD1
SCHEMBL3006036 0.78 CYP1A2 (0.34)
SCHEMBL3685856 0.78 MEN1 (0.31)
SCHEMBL2012827 0.77 TACR1 (0.35) CCR9TACR1ACHEBCHEHDAC4
SCHEMBL726031 0.76 CHRM2 (0.42)
SCHEMBL2011838 0.73 CYP1A2 (0.31)
SCHEMBL3311784 0.72
SCHEMBL16524218 0.70
SCHEMBL1423451 0.70
SCHEMBL3677738 0.69 CNR2 (0.36) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513031-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2012-10-24 EP disclosed
WO-2011073655-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2011-06-23 WO disclosed