SCHEMBL9024719

SCHEMBL9024719

COC(=O)CCCC=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C)cc2)CN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 5/20 0.47
▸ PTGDR Q13258 5/20 0.47
▸ TBXAS1 P24557 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ STS P08842 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ REN P00797 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL9006133 1.00 TBXA2R (0.47) TBXA2RPTGDRTBXAS1ALDH1A1CYP3A4
SCHEMBL9006096 0.93 PTGDR (0.47) TBXA2RPTGDRTBXAS1ALDH1A1MEN1
SCHEMBL9006089 0.93 PTGDR (0.47) TBXA2RPTGDRTBXAS1ALDH1A1MEN1
SCHEMBL9006118 0.92 TBXA2R (0.41) TBXA2RPTGDRTBXAS1ALDH1A1CYP3A4
SCHEMBL9024778 0.92 TBXA2R (0.41) TBXA2RPTGDRTBXAS1ALDH1A1CYP3A4
SCHEMBL9024635 0.92 PTGDR (0.46) TBXA2RPTGDRTBXAS1ALDH1A1CA12
SCHEMBL9006075 0.92 PTGDR (0.46) TBXA2RPTGDRTBXAS1ALDH1A1CA12
SCHEMBL9006115 0.92 TBXA2R (0.49) TBXA2RPTGDR
SCHEMBL9024816 0.92 TBXA2R (0.49) TBXA2RPTGDR
SCHEMBL9006108 0.90 PTGDR (0.46) TBXA2RPTGDRTBXAS1ALDH1A1MEN1

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-0367130-B1 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 — — EP disclosed
US-5264453-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 — — US disclosed
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