SCHEMBL27769874

SCHEMBL27769874

CCCCNOP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.47
LPAR3 Q9UBY5 6/20 0.43
LPAR2 Q9HBW0 3/20 0.43
LPAR1 Q92633 2/20 0.43
MMP1 P03956 1/20 0.42
S1PR2 O95136 5/20 0.39
S1PR4 O95977 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
SMPD1 P17405 5/20 0.39
S1PR5 Q9H228 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL28107516 0.98 MMP2 (0.45) MMP2LPAR3LPAR2LPAR1MMP1
SCHEMBL3418692 0.93 S1PR2 (0.47) MMP2LPAR3LPAR2LPAR1S1PR2
SCHEMBL23001061 0.91 S1PR2 (0.50) LPAR3LPAR2LPAR1S1PR2S1PR4
SCHEMBL8819161 0.91 S1PR2 (0.50) LPAR3LPAR2LPAR1S1PR2S1PR4
SCHEMBL23000967 0.91 S1PR2 (0.50) LPAR3LPAR2LPAR1S1PR2S1PR4
SCHEMBL28606781 0.91 S1PR2 (0.50) LPAR3LPAR2LPAR1S1PR2S1PR4
SCHEMBL28707730 0.90 S1PR2 (0.48) LPAR3LPAR2LPAR1S1PR2S1PR4
SCHEMBL29217554 0.90 S1PR2 (0.48) LPAR3LPAR2LPAR1S1PR2S1PR4
SCHEMBL21064947 0.86
SCHEMBL10437183 0.84 MMP2 (0.45) MMP2LPAR3LPAR2LPAR1MMP1

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-114617136-B Microbial compositions for promoting plant growth and treating plant diseases and methods of use FMC有限公司 2024-03-22 CN disclosed
CN-108383095-B Method for preparing intercalation alpha-titanium phosphate by ion exchange method 河北工业大学 2021-01-19 CN disclosed
CN-108383095-A A kind of method that ion-exchange prepares intercalation alpha-titanium phosphate 河北工业大学 2018-08-10 CN disclosed
CN-101633658-A Crystalline polymorph of sitagliptin phosphate and its preparation MAE DE LTD 2010-01-27 CN disclosed