SCHEMBL7920731

SCHEMBL7920731

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSc1ccc(OC(F)C(=O)OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7918859 1.00 ALDH1A1 (0.38) ALDH1A1MTNR1AMTNR1BCNR2TSHR
SCHEMBL7911810 0.91 ALDH1A1 (0.39) ALDH1A1MTNR1AMTNR1BCNR2MAPT
SCHEMBL7911920 0.91 ALDH1A1 (0.39) ALDH1A1MTNR1AMTNR1BCNR2MAPT
SCHEMBL7924000 0.86 CNR2 (0.37) ALDH1A1CNR2TSHRMAPTHSD17B10
SCHEMBL7920572 0.86 CNR2 (0.37) ALDH1A1CNR2TSHRMAPTHSD17B10
SCHEMBL7918967 0.82 ALDH1A1 (0.53) ALDH1A1MTNR1AMTNR1BTSHRMAPT
SCHEMBL9366549 0.82 MTNR1A (0.43) ALDH1A1MTNR1AMTNR1BTSHRMAPT
SCHEMBL7918943 0.79 ALDH1A1 (0.52) ALDH1A1MTNR1AMTNR1BTSHRMAPT
SCHEMBL7911874 0.78 ALDH1A1 (0.62) ALDH1A1TSHRMAPTHSD17B10
SCHEMBL7911884 0.78 MAPT (0.47) ALDH1A1CNR2MAPTHPGD

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