SCHEMBL28186603

SCHEMBL28186603

CC(Nn1ccc(=O)[nH]c1=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.42
DDB1 Q16531 1/20 0.39
DUT P33316 8/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 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
SCHEMBL12099167 1.00 CRBN (0.42) CRBNDDB1DUTALDH1A1LMNA
SCHEMBL7632468 0.80 CRBN (0.47) CRBNDDB1DUTALDH1A1LMNA
SCHEMBL7926412 0.72 PKM (0.40) CRBNDDB1DUTALDH1A1LMNA
SCHEMBL3541014 0.71 CRBN (0.54) CRBNDDB1DUTALDH1A1LMNA
SCHEMBL11185597 0.69 HDAC4 (0.35) ALDH1A1LMNA
SCHEMBL11185594 0.69 HDAC4 (0.35) ALDH1A1LMNA
SCHEMBL6206135 0.68 NTSR1 (0.45) ALDH1A1LMNA
SCHEMBL2181554 0.67 CRBN (0.54) CRBNDDB1DUTALDH1A1LMNA
SCHEMBL5519857 0.67 HDAC4 (0.41) ALDH1A1LMNAPKM
SCHEMBL725455 0.66 CRBN (0.43) CRBNDDB1DUTALDH1A1LMNA

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-107686505-A A kind of new tripeptide compound for containing 1 willardin and its preparation method and application 河南师范大学 2018-02-13 CN claimed
CN-107365352-A A kind of new tripeptide compound for containing 9 adenine alanine and its preparation method and application 河南师范大学 2017-11-21 CN claimed
CN-107686505-A A kind of new tripeptide compound for containing 1 willardin and its preparation method and application 河南师范大学 2018-02-13 CN disclosed
CN-107365352-A A kind of new tripeptide compound for containing 9 adenine alanine and its preparation method and application 河南师范大学 2017-11-21 CN disclosed