SCHEMBL7920567

SCHEMBL7920567

CCCCCCCCS(=O)(=O)NCCSc1cc(F)c(OCC(=O)OC)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 4/20 0.36
CYP2C19 P33261 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CNR2 P34972 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
SCHEMBL7920959 0.91 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7920723 0.88 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7918856 0.88 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7911925 0.82 ALDH1A1 (0.55) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7911808 0.79 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7911917 0.79 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7921056 0.77 ALDH1A1 (0.66) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7924106 0.76 ALDH1A1 (0.64) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7918789 0.76 ALDH1A1 (0.64) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1
SCHEMBL7924113 0.76 ALDH1A1 (0.64) ALDH1A1CYP2C9CYP1A2CYP3A4NFKB1

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 6 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
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US 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