SCHEMBL7920747

SCHEMBL7920747

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSc1ccc(OC(F)C(=O)O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
RELA Q04206 4/20 0.34
TSHR P16473 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7920964 1.00 CNR2 (0.38) CNR2ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7920572 0.91 CNR2 (0.37) CNR2ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7924000 0.91 CNR2 (0.37) CNR2ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7911920 0.86 ALDH1A1 (0.39) CNR2ALDH1A1CYP1A2CYP3A4PPARA
SCHEMBL7911810 0.86 ALDH1A1 (0.39) CNR2ALDH1A1CYP1A2CYP3A4PPARA
SCHEMBL7911917 0.84 ALDH1A1 (0.41) CNR2ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7911808 0.84 ALDH1A1 (0.41) CNR2ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7911904 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7920723 0.82 ALDH1A1 (0.41) CNR2ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7918856 0.82 ALDH1A1 (0.41) CNR2ALDH1A1HSD17B10CYP1A2CYP3A4

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
EP-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed