SCHEMBL9024635

SCHEMBL9024635

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 6/20 0.46
▸ TBXA2R P21731 2/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ MMP2 P08253 3/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ MMP1 P03956 4/20 0.42
▸ MMP13 P45452 4/20 0.42
▸ MMP3 P08254 3/20 0.42
▸ MMP7 P09237 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ TBXAS1 P24557 1/20 0.38
▸ GLA P06280 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
SCHEMBL9006075 1.00 PTGDR (0.46) PTGDRTBXA2RCA12CA1CA2
SCHEMBL9024183 0.94 PTGDR (0.52) PTGDRTBXA2RCA12CA1CA2
SCHEMBL9006209 0.94 PTGDR (0.52) PTGDRTBXA2RCA12CA1CA2
SCHEMBL9024412 0.93 PTGDR (0.43) PTGDRTBXA2RCA12CA1CA2
SCHEMBL9006242 0.93 PTGDR (0.43) PTGDRTBXA2RCA12CA1CA2
SCHEMBL9024719 0.92 TBXA2R (0.47) PTGDRTBXA2RCA12CA1CA2
SCHEMBL9006133 0.92 TBXA2R (0.47) PTGDRTBXA2RCA12CA1CA2
SCHEMBL9006089 0.92 PTGDR (0.47) PTGDRTBXA2RALDH1A1TBXAS1
SCHEMBL9006096 0.92 PTGDR (0.47) PTGDRTBXA2RALDH1A1TBXAS1
SCHEMBL9006108 0.90 PTGDR (0.46) PTGDRTBXA2RALDH1A1TBXAS1

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-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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