SCHEMBL7920723

SCHEMBL7920723

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
S1PR2 O95136 1/20 0.37

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
SCHEMBL7918856 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL7911808 0.91 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9CYP1A2CYP3A4
SCHEMBL7911917 0.91 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9CYP1A2CYP3A4
SCHEMBL7920567 0.88 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL7918962 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL7924000 0.83 CNR2 (0.37) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL7920572 0.83 CNR2 (0.37) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL7920964 0.82 CNR2 (0.38) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL7920747 0.82 CNR2 (0.38) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL7911871 0.79 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTTTSHR

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