SCHEMBL29098445

SCHEMBL29098445

CCCCCOP(=O)(OC(N)CCCCCN)C(N)CCCCCN

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.44
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
S1PR2 O95136 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR4 O95977 4/20 0.38
TLR2 O60603 2/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SMPD1 P17405 3/20 0.36
DNM1 Q05193 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL11040069 0.85 LAP3 (0.47) LAP3LPAR3LPAR1LPAR2DNM1
SCHEMBL7114499 0.83 LAP3 (0.56) LAP3LPAR3LPAR1LPAR2S1PR2
SCHEMBL19349539 0.83 LAP3 (0.56) LAP3LPAR3LPAR1LPAR2S1PR2
SCHEMBL29013476 0.77 CYP3A4 (0.38) LAP3LPAR3LPAR1S1PR2S1PR1
SCHEMBL27629889 0.77 S1PR2 (0.43) LAP3LPAR3LPAR1LPAR2S1PR2
Potassium Ion SCHEMBL28615093 0.76 LMNA (0.43) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL29164438 0.76 S1PR2 (0.42) LAP3LPAR3LPAR1LPAR2S1PR2
SCHEMBL29164439 0.76 S1PR2 (0.42) LAP3LPAR3LPAR1LPAR2S1PR2
SCHEMBL28029386 0.76 LMNA (0.43) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL10421805 0.74 CYP3A4 (0.53) LAP3LPAR3LPAR1LPAR2S1PR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116916753-A Aqueous hydrogen peroxide solution for sterilization, method for sterilizing object using same, and method for producing sterilized object 三菱瓦斯化学株式会社 2023-10-20 CN disclosed