SCHEMBL28539152

SCHEMBL28539152

CCC(C(C)C)P(=O)(O)O.[AlH3]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.44
FDPS P14324 6/20 0.39
METAP1 P53582 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
ANPEP P15144 3/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8015730 0.97 LAP3 (0.46) LAP3FDPSMETAP1MMP1MMP2
SCHEMBL16797954 0.79 LAP3 (0.44) LAP3FDPSMETAP1MMP1MMP2
SCHEMBL14790297 0.78 LAP3 (0.44) LAP3FDPSMETAP1MMP2ANPEP
SCHEMBL30585641 0.77 LAP3 (0.42) LAP3FDPSMETAP1MMP1MMP2
SCHEMBL19212007 0.76 LAP3 (0.46) LAP3FDPSMETAP1MMP1MMP2
SCHEMBL19212081 0.75 LAP3 (0.41) LAP3FDPSMETAP1MMP1MMP2
SCHEMBL20681735 0.74 LAP3 (0.52) LAP3FDPSMETAP1MMP1ANPEP
SCHEMBL7035733 0.74 LAP3 (0.40) LAP3FDPSMETAP1MMP2ANPEP
SCHEMBL28757649 0.72
SCHEMBL6227459 0.72 LAP3 (0.54) LAP3FDPSMETAP1ANPEPERAP1

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
CN-112778511-A Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2021-05-11 CN disclosed
CN-107075097-B Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2021-02-05 CN disclosed