SCHEMBL28359338

SCHEMBL28359338

CC(C)CC(CC(C)C)OP(=O)(O)O.[KH]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 9/20 0.43
ANPEP P15144 5/20 0.43
ERAP1 Q9NZ08 1/20 0.43
SMPD1 P17405 3/20 0.36
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
METAP1 P53582 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30
RNPEP Q9H4A4 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
SCHEMBL27302689 0.98 LAP3 (0.44) LAP3ANPEPERAP1SMPD1MMP1
SCHEMBL11320002 0.89 LAP3 (0.39) LAP3ANPEPERAP1SMPD1
Ammonia Solution, Strong SCHEMBL27830733 0.87 LAP3 (0.38) LAP3ANPEPERAP1SMPD1
SCHEMBL27617181 0.87 LAP3 (0.38) LAP3ANPEPERAP1SMPD1
SCHEMBL26354478 0.86 LAP3 (0.40) LAP3ANPEPERAP1SMPD1MMP1
SCHEMBL5909095 0.85 LAP3 (0.39) LAP3ANPEPERAP1SMPD1METAP1
SCHEMBL28296587 0.84 LAP3 (0.35) LAP3ANPEPERAP1SMPD1
SCHEMBL8824666 0.83 LAP3 (0.44) LAP3ANPEPERAP1MMP1MMP8
Alcohol SCHEMBL27863689 0.82 LAP3 (0.34) LAP3ANPEPERAP1SMPD1
SCHEMBL18826043 0.80 LAP3 (0.46) LAP3ANPEPERAP1SMPD1MMP1

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-110791964-B Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2020-10-23 CN disclosed
CN-110791964-A Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2020-02-14 CN disclosed