SCHEMBL5720274

SCHEMBL5720274

CCOC(=O)[C@@H]1OCO[C@H]1C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 13/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5720219 0.82 POLB (0.51) TRPM8ALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL5720266 0.73 HSD17B10 (0.40) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL12539260 0.72 TRPM8 (0.62) TRPM8
SCHEMBL85862 0.72 TSHR (0.46) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL7203762 0.72 TSHR (0.46) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL7209322 0.72 TSHR (0.46) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL829752 0.71 TSHR (0.60) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL829751 0.71 TSHR (0.60) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL835910 0.71 TSHR (0.60) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL829750 0.71 TSHR (0.60) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2

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-1668007-A1 DIOXOLANE DERIVATIVES AS CELL ADHESION INHIBITORS Ranbaxy Laboratories Limited (IN) 2006-06-14 EP disclosed
WO-2005026163-A1 DIOXOLANE DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-03-24 WO disclosed