SCHEMBL5591313

SCHEMBL5591313

Cc1ccc(S(=O)(=O)OC(=O)OC(c2ccccc2)C2CC3CCCCC3N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ REN P00797 2/20 0.34
▸ ENPP3 O14638 2/20 0.33
▸ ENPP1 P22413 2/20 0.33
▸ ENPP2 Q13822 2/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ HTR1E P28566 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ CTSC P53634 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL28679838 0.74 CTSC (0.41) CYP3A4ENPP3ENPP1ENPP2ALDH1A1
SCHEMBL5590915 0.72 ENPP3 (0.35) CYP3A4CYP2C19KCNA5ENPP3ENPP1
SCHEMBL5592370 0.72 ENPP3 (0.35) CYP3A4CYP2C19KCNA5ENPP3ENPP1
SCHEMBL20833342 0.66 GBA1 (0.36) SLC6A2SLC6A3SLC6A4
SCHEMBL5506318 0.66 CTSC (0.42) CYP3A4ALDH1A1CTSC
SCHEMBL28679839 0.66 CTSC (0.42) CYP3A4ALDH1A1CTSC
SCHEMBL9332822 0.65 LMNA (0.43) FKBP1APKM
SCHEMBL3930177 0.64 TSHR (0.47) FKBP1AALDH1A1CTSC
SCHEMBL1415100 0.64 TSHR (0.47) FKBP1AALDH1A1CTSC
SCHEMBL20833507 0.64 CYP1A2 (0.36) CYP3A4SLC6A2SLC6A3SLC6A4

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
WO-2007017894-A2 PREPARATION OF NOVEL CRYSTALLINE η(ETA) FORM OF PERINDOPRIL ERBUMINE ARCH PHARMALABS LIMITED (IN) 2007-02-15 — — WO disclosed
WO-2007017893-A2 PREPARATION OF NOVEL CRYSTALLINE FORM OF PERINDOPRIL ERBUMINE MONOHYDRATE ARCH PHARMALABS LIMITED (IN) 2007-02-15 — — WO disclosed
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