SCHEMBL28071990

SCHEMBL28071990

C=CN1CCCCC(N)C1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
APEX1 P27695 1/20 0.39
DPP4 P27487 6/20 0.39
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5576883 0.86
SCHEMBL996315 0.77 CHRM2 (0.38) ALDH1A1
SCHEMBL18289478 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5638626 0.73 DPP4 (0.36) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL6926233 0.73 CHRNB2 (0.39) ALDH1A1
SCHEMBL35531 0.71 PIK3CD (0.35)
SCHEMBL7238109 0.70 CHRNB2 (0.34)
SCHEMBL4704758 0.69 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL1189733 0.69 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5638487 0.69 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1

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
CN-113512156-A Slow-setting slump-retaining water reducer and preparation method thereof 甘肃新纪元建材有限公司 2021-10-19 CN claimed
CN-104004122-B Novel temperature-sensitive polymer and prepare the method for Novel temperature-sensitive polymer with renewable resource 1B CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2016-05-11 CN claimed
CN-113512156-A Slow-setting slump-retaining water reducer and preparation method thereof 甘肃新纪元建材有限公司 2021-10-19 CN disclosed
CN-104004122-B Novel temperature-sensitive polymer and prepare the method for Novel temperature-sensitive polymer with renewable resource 1B CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2016-05-11 CN disclosed