SCHEMBL6940639

SCHEMBL6940639

CC(C)C1=C(C(=O)Cc2c(C(C)C)cccc2C(C)C)C=CC(C(C)C)[CH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
LPAR1 Q92633 2/20 0.36
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
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 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
SCHEMBL6940832 0.76 GABRA1 (0.36) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL8136318 0.65 GABRA1 (0.57) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL8132569 0.64 GABRA1 (0.55) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL2817756 0.64 GABRA1 (0.55) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL7206360 0.63 FABP3 (0.51) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL6941985 0.62 SOAT2 (0.34) SOAT2MYCSOAT1MAP2K3
SCHEMBL7206345 0.62 GABRA1 (0.41) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL2723046 0.61 GABRA1 (0.61) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL7206347 0.61 GABRA1 (0.43) GABRA1GABRG2GABRB3LPAR1SMN1; SMN2
SCHEMBL28302057 0.60 GABRA1 (0.65) GABRA1GABRG2GABRB3SMN1; SMN2FAAH

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 5 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
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO disclosed