SCHEMBL7921034

SCHEMBL7921034

O=C(O)COc1c(F)cc(S(=O)(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TBXAS1 P24557 3/20 0.44
SGMS1 Q86VZ5 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7923735 0.86 SMN1; SMN2 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL9510805 0.85 TBXA2R (0.60) TBXA2RTBXAS1SGMS1
SCHEMBL2925987 0.83 ALDH1A1 (0.69) TBXA2RPTGDR2ALDH1A1CYP1A2CYP3A4
SCHEMBL7924088 0.82 TBXA2R (0.45) TBXA2RPTGDR2ALDH1A1CYP1A2CYP3A4
SCHEMBL9512730 0.75 TBXA2R (0.58) TBXA2RTBXAS1SGMS1
SCHEMBL9510541 0.75 TBXA2R (0.59) TBXA2RALDH1A1TBXAS1SGMS1TP53
SCHEMBL9513246 0.75 TBXA2R (0.50) TBXA2RPTGDR2TBXAS1SGMS1
SCHEMBL7919301 0.74 SGMS1 (0.47) TBXA2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7919051 0.73 ALDH1A1 (0.72) TBXA2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7920584 0.73 ALDH1A1 (0.81) TBXA2RALDH1A1CYP1A2CYP3A4CYP2C9

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 2 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