SCHEMBL29948813

SCHEMBL29948813

CCCCCCCCCc1ccccc1P(=O)([O-])CC(CC)CCCC.CCCCCCCCCc1ccccc1P(=O)([O-])CC(CC)CCCC.CCCCCCCCCc1ccccc1P(=O)([O-])CC(CC)CCCC.[Nd+3]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.38
CYSLTR2 Q9NS75 6/20 0.38
CYSLTR1 Q9Y271 6/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 0.34
KAT8 Q9H7Z6 2/20 0.34

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
SCHEMBL23535414 1.00 LIPG (0.38) LIPGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL23534091 0.84 LIPG (0.46) LIPGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL29817274 0.82 CYP3A4 (0.46) LIPGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL23534070 0.78 LIPG (0.49) LIPGCYSLTR2CYSLTR1NR1H2NR1H3
SCHEMBL29948646 0.78 LIPG (0.49) LIPGCYSLTR2CYSLTR1NR1H2NR1H3
SCHEMBL29948792 0.78 LIPG (0.49) LIPGCYSLTR2CYSLTR1NR1H2NR1H3
SCHEMBL152031 0.77 ENPP2 (0.44) S1PR1S1PR3S1PR2S1PR4ALDH1A1
SCHEMBL29759004 0.76 CYP3A4 (0.47) LIPGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL29948685 0.76 L3MBTL1 (0.34) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
Phosphoric Acid SCHEMBL23535103 0.75 LIPG (0.38) LIPGCYSLTR2CYSLTR1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883974-B1 POLYMER COMPOSITION AND A METHOD FOR PREPARING THEREOF SIBUR HOLDING PUBLIC JOINT STOCK CO (RU) 2025-09-03 EP disclosed
EP-4098667-B1 METHOD FOR PRODUCING MODIFIED POLYDIENES PUBLIC JOINT STOCK COMPANY SIBUR HOLDING PJSC SIBUR HOLDING (RU) 2025-03-12 EP disclosed
EP-4098667-A1 METHOD FOR PRODUCING MODIFIED POLYDIENES Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-12-07 EP disclosed
EP-4098666-A1 METHOD FOR PRODUCING MODIFIED POLYDIENES (VARIANTS) Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-12-07 EP disclosed
EP-4077410-A1 BRANCHED POLYDIENES, RUBBER COMPOSITIONS BASED ON THEREOF Public Joint Stock Company "Sibur Holding" (PJSC "Sibur Holding") (RU) 2022-10-26 EP disclosed