SCHEMBL9006259

SCHEMBL9006259

COC(=O)CCC/C=C\[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 8/20 0.52
▸ TBXA2R P21731 4/20 0.52
▸ CA12 O43570 5/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ PTGIR P43119 1/20 0.41
▸ MMP9 P14780 6/20 0.40
▸ MMP2 P08253 6/20 0.40
▸ HTT P42858 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ ADAMTS5 Q9UNA0 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
SCHEMBL9024714 1.00 PTGDR (0.52) PTGDRTBXA2RCA12CA2CA9
SCHEMBL9006096 0.95 PTGDR (0.47) PTGDRTBXA2RHTTTBXAS1
SCHEMBL9006089 0.95 PTGDR (0.47) PTGDRTBXA2RHTTTBXAS1
SCHEMBL9006199 0.94 TBXA2R (0.43) PTGDRTBXA2RHTTTBXAS1
SCHEMBL9646098 0.94 TBXA2R (0.43) PTGDRTBXA2RHTTTBXAS1
SCHEMBL9006193 0.94 TBXA2R (0.43) PTGDRTBXA2RHTTTBXAS1
SCHEMBL9006134 0.92 PTGDR (0.49) PTGDRTBXA2RCA12CA9PTGIR
SCHEMBL9024704 0.92 PTGDR (0.49) PTGDRTBXA2RCA12CA9PTGIR
SCHEMBL9006118 0.91 TBXA2R (0.41) PTGDRTBXA2RHTTTBXAS1
SCHEMBL9006145 0.91 TBXA2R (0.41) PTGDRTBXA2RHTTTBXAS1

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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