SCHEMBL28330673

SCHEMBL28330673

C=CC(=O)CC[N+](C)(C)CCCOP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.42
LPAR2 Q9HBW0 7/20 0.42
BBOX1 O75936 7/20 0.41
LPAR1 Q92633 5/20 0.39
ENPP2 Q13822 1/20 0.32

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
SCHEMBL4670993 0.80 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2
SCHEMBL7621893 0.79 LPAR3 (0.56) LPAR3LPAR2LPAR1ENPP2
SCHEMBL7624680 0.77 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2
SCHEMBL7621154 0.77 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2
SCHEMBL29804741 0.77 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2
SCHEMBL29870530 0.77 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2
SCHEMBL2140462 0.76 LPAR3 (0.52) LPAR3LPAR2LPAR1ENPP2
SCHEMBL9408649 0.74 HTT (0.50) BBOX1
SCHEMBL133757 0.74 BBOX1 (0.40) BBOX1
SCHEMBL136665 0.74 SMN1; SMN2 (0.35) BBOX1

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-113529479-A Method for increasing bulk strength of paper by using diallylamine acrylamide copolymers in size press formulations containing starch 艺康美国股份有限公司 2021-10-22 CN disclosed
CN-107109796-B Method for improving paper strength 艺康美国股份有限公司 2019-12-06 CN disclosed