SCHEMBL9006203

SCHEMBL9006203

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 11/20 0.47
▸ STS P08842 2/20 0.45
▸ NR1H2 P55055 1/20 0.41
▸ TBXAS1 P24557 3/20 0.41
▸ PTGDR Q13258 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MCL1 Q07820 1/20 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
SCHEMBL9024050 1.00 TBXA2R (0.47) TBXA2RSTSNR1H2TBXAS1PTGDR
SCHEMBL9006258 0.95 TBXA2R (0.47) TBXA2RSTSNR1H2TBXAS1PTGDR
SCHEMBL9023890 0.95 TBXA2R (0.47) TBXA2RSTSNR1H2TBXAS1PTGDR
SCHEMBL9024402 0.87 TBXA2R (0.48) TBXA2RTBXAS1PTGDR
SCHEMBL9006144 0.87 TBXA2R (0.48) TBXA2RTBXAS1PTGDR
SCHEMBL9006196 0.86 STS (0.52) TBXA2RSTSNR1H2HTTMCL1
SCHEMBL9503241 0.82 STS (0.45) TBXA2RSTSNR1H2HTT
SCHEMBL9503235 0.82 STS (0.45) TBXA2RSTSNR1H2HTT
SCHEMBL9006155 0.79 STS (0.44) STSNR1H2
SCHEMBL9006182 0.79 STS (0.44) STSNR1H2

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 4 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-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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