SCHEMBL7895665

SCHEMBL7895665

CC1(C)[C@H]2C[C@H](CC(=O)O)C(=O)[C@@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32
MDM2 Q00987 2/20 0.31
HSD11B1 P28845 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 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
SCHEMBL9416064 0.82 BRD4 (0.36) TP53HTT
SCHEMBL5051723 0.75
SCHEMBL5051698 0.72 CYP19A1 (0.33) TSHRMAPK1
SCHEMBL14174371 0.72 CYP19A1 (0.33) TSHRMAPK1
SCHEMBL14463114 0.71 TSHR (0.30) TSHRMAPK1
SCHEMBL8179998 0.69 FOLH1 (0.33)
SCHEMBL7636520 0.68 CYP19A1 (0.30)
SCHEMBL8189725 0.67 SLC6A12 (0.48) TP53L3MBTL1ITGB3ITGB2ITGB1
SCHEMBL712868 0.67 TSHR (0.38) TSHRMAPK1
SCHEMBL3707344 0.66 TSHR (0.36) TSHRMAPK1

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-1069123-A1 PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2001-01-17 EP disclosed