SCHEMBL9006111

SCHEMBL9006111

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 12/20 0.46
▸ TBXA2R P21731 4/20 0.46
▸ STS P08842 1/20 0.40
▸ TBXAS1 P24557 1/20 0.38
▸ PTGIR P43119 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL9006108 1.00 PTGDR (0.46) PTGDRTBXA2RSTSTBXAS1PTGIR
SCHEMBL9006218 0.92 PTGDR (0.51) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9006222 0.92 PTGDR (0.51) PTGDRTBXA2RTBXAS1PTGIR
SCHEMBL9006141 0.91 TBXAS1 (0.40) PTGDRTBXA2RTBXAS1
SCHEMBL9025186 0.91 TBXAS1 (0.40) PTGDRTBXA2RTBXAS1
SCHEMBL9006133 0.90 TBXA2R (0.47) PTGDRTBXA2RSTSTBXAS1MEN1
SCHEMBL9024719 0.90 TBXA2R (0.47) PTGDRTBXA2RSTSTBXAS1MEN1
SCHEMBL9006089 0.90 PTGDR (0.47) PTGDRTBXA2RSTSTBXAS1MEN1
SCHEMBL9006096 0.90 PTGDR (0.47) PTGDRTBXA2RSTSTBXAS1MEN1
SCHEMBL9006075 0.90 PTGDR (0.46) PTGDRTBXA2RTBXAS1ALDH1A1

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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