SCHEMBL6940832

SCHEMBL6940832

CC(C)C1=CC(C(C)C)[CH]C(C(C)C)=C1C(=O)Cc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
LPAR1 Q92633 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
SOAT2 O75908 1/20 0.31
MYC P01106 1/20 0.31
SOAT1 P35610 1/20 0.31
MAP2K3 P46734 1/20 0.31

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
SCHEMBL6941985 0.86 SOAT2 (0.34) SOAT2MYCSOAT1MAP2K3
SCHEMBL6940639 0.76 GABRA1 (0.37) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL8136318 0.65 GABRA1 (0.57) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL8132569 0.63 GABRA1 (0.55) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL2817756 0.63 GABRA1 (0.55) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL7206360 0.62 FABP3 (0.51) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL7206345 0.61 GABRA1 (0.41) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL2723046 0.61 GABRA1 (0.61) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL7206347 0.61 GABRA1 (0.43) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL22899758 0.59 NLRP3 (0.56) GABRA1GABRG2GABRB3LPAR1SOAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed