SCHEMBL9006148

SCHEMBL9006148

COc1ccc(CN2C[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C[C@H]2/C=C\CCCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 7/20 0.51
▸ TBXA2R P21731 3/20 0.44
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TBXAS1 P24557 6/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL9024212 1.00 PTGDR (0.51) PTGDRTBXA2REGFRERBB2MMP2
SCHEMBL9024412 0.93 PTGDR (0.43) PTGDRTBXA2REGFRERBB2MMP2
SCHEMBL9006242 0.93 PTGDR (0.43) PTGDRTBXA2REGFRERBB2MMP2
SCHEMBL9006209 0.93 PTGDR (0.52) PTGDRTBXA2RMMP2MMP1MMP3
SCHEMBL9024183 0.93 PTGDR (0.52) PTGDRTBXA2RMMP2MMP1MMP3
SCHEMBL9024128 0.93 TBXA2R (0.49) PTGDRTBXA2RTBXAS1
SCHEMBL9006172 0.93 TBXA2R (0.49) PTGDRTBXA2RTBXAS1
SCHEMBL9006100 0.91 TBXA2R (0.47) PTGDRTBXA2REGFRERBB2TBXAS1
SCHEMBL9024627 0.91 TBXA2R (0.47) PTGDRTBXA2REGFRERBB2TBXAS1
SCHEMBL9024027 0.90 TBXA2R (0.47) PTGDRTBXA2RTBXAS1

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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