SCHEMBL7918974

SCHEMBL7918974

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSc1ccc(CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PLA2G4B P0C869 1/20 0.43
PTPN1 P18031 2/20 0.41
MAPT P10636 1/20 0.40
TBXA2R P21731 1/20 0.40
CNR2 P34972 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
RELA Q04206 3/20 0.38

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
SCHEMBL7924081 1.00 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10PLA2G4BPTPN1
SCHEMBL7911884 0.88 MAPT (0.47) ALDH1A1HPGDPTPN1MAPTTBXA2R
SCHEMBL7918931 0.88 MAPT (0.47) ALDH1A1HPGDPTPN1MAPTTBXA2R
SCHEMBL11107638 0.84 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10PLA2G4BTBXA2R
SCHEMBL8440775 0.81 MEN1 (0.48) ALDH1A1HPGDPTPN1CNR2
SCHEMBL8441453 0.81 MEN1 (0.48) ALDH1A1HPGDPTPN1CNR2
SCHEMBL7918947 0.79 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10MAPTTBXA2R
SCHEMBL7911810 0.78 ALDH1A1 (0.39) ALDH1A1HPGDPLA2G4BMAPTCNR2
SCHEMBL7911920 0.78 ALDH1A1 (0.39) ALDH1A1HPGDPLA2G4BMAPTCNR2
SCHEMBL7911917 0.76 ALDH1A1 (0.41) ALDH1A1HSD17B10PLA2G4BCNR2

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