SCHEMBL7963101

SCHEMBL7963101

Cc1oc2c(OCC(=O)O)cccc2c1CCNS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.52
PTGIR P43119 7/20 0.52
TBXAS1 P24557 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SGMS1 Q86VZ5 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL7958863 0.87 TBXA2R (0.51) TBXA2RPTGIRTBXAS1TDP1KDM4E
SCHEMBL7963013 0.85 TBXA2R (0.52) TBXA2RPTGIRTBXAS1TDP1KDM4E
SCHEMBL7956157 0.80 TBXA2R (0.58) TBXA2RPTGIRTDP1KDM4EALDH1A1
SCHEMBL7948722 0.79 TBXA2R (0.56) TBXA2RPTGIRTDP1KDM4EALDH1A1
SCHEMBL7948857 0.79 TBXA2R (0.50) TBXA2RPTGIRTDP1KDM4EALDH1A1
SCHEMBL7958687 0.78 TBXA2R (0.50) TBXA2RPTGIRTDP1KDM4EALDH1A1
SCHEMBL7958928 0.78 TBXA2R (0.52) TBXA2RPTGIRTDP1KDM4EALDH1A1
SCHEMBL7958516 0.77 PTGIR (0.56) TBXA2RPTGIRTDP1KDM4EALDH1A1
SCHEMBL7956738 0.77 TBXA2R (0.51) TBXA2RPTGIRTDP1KDM4EALDH1A1
SCHEMBL9834437 0.75 TBXA2R (0.64) TBXA2RTBXAS1TDP1KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed