SCHEMBL9006258

SCHEMBL9006258

CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1/C=C\CCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 9/20 0.47
▸ PTGDR Q13258 4/20 0.45
▸ STS P08842 2/20 0.44
▸ TBXAS1 P24557 6/20 0.43
▸ NR1H2 P55055 1/20 0.41

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
SCHEMBL9023890 1.00 TBXA2R (0.47) TBXA2RPTGDRSTSTBXAS1NR1H2
SCHEMBL9024050 0.95 TBXA2R (0.47) TBXA2RPTGDRSTSTBXAS1NR1H2
SCHEMBL9006203 0.95 TBXA2R (0.47) TBXA2RPTGDRSTSTBXAS1NR1H2
SCHEMBL9006144 0.92 TBXA2R (0.48) TBXA2RPTGDRTBXAS1
SCHEMBL9024402 0.92 TBXA2R (0.48) TBXA2RPTGDRTBXAS1
SCHEMBL9006196 0.85 STS (0.52) TBXA2RSTSNR1H2
SCHEMBL9006190 0.82 TBXA2R (0.49) TBXA2RPTGDRTBXAS1
SCHEMBL9024897 0.82 TBXA2R (0.49) TBXA2RPTGDRTBXAS1
SCHEMBL9503163 0.81 TBXA2R (0.50) TBXA2RPTGDRTBXAS1
SCHEMBL9503148 0.81 TBXA2R (0.50) TBXA2RPTGDRTBXAS1

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-0367130-B1 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 — — EP disclosed
US-5514701-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 — — US disclosed
US-5264453-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 — — US disclosed
US-5130323-A PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-14 — — US disclosed
EP-0367130-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 — — EP disclosed
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