SCHEMBL30957271

SCHEMBL30957271

CCCCCCCCCc1c(CC(CC)CCCC)cccc1P(=O)(O)O.[Nd]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR2 O95136 4/20 0.38
S1PR4 O95977 4/20 0.38
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ENPP2 Q13822 1/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL4459974 0.89 TSHR (0.40) GLATSHRHTTL3MBTL1PRSS1
SCHEMBL29948685 0.86 L3MBTL1 (0.34) S1PR1S1PR3S1PR2S1PR4GLA
SCHEMBL8981994 0.82 ALDH1A1 (0.43) GLATSHRHTTL3MBTL1PRSS1
SCHEMBL11415552 0.82 BID (0.47) ENPP2BIDMCL1BCL2L1BAK1
SCHEMBL598721 0.82 BID (0.47) ENPP2BIDMCL1BCL2L1BAK1
SCHEMBL6441107 0.82 BID (0.47) ENPP2BIDMCL1BCL2L1BAK1
SCHEMBL6441595 0.82 BID (0.47) ENPP2BIDMCL1BCL2L1BAK1
SCHEMBL5852627 0.82 BID (0.47) ENPP2BIDMCL1BCL2L1BAK1
Phosphoric Acid SCHEMBL15475373 0.79 TSHR (0.40) S1PR1S1PR3S1PR2S1PR4GLA
SCHEMBL3463189 0.78 PRSS1 (0.41) S1PR1S1PR3S1PR2S1PR4PRSS1

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-114846031-B Branched polydienes and rubber compositions based thereon 公共型股份公司希布尔控股 2025-02-28 CN disclosed
CN-115210272-B Methods and embodiments for producing modified polydienes 公共型股份公司希布尔控股 2024-06-28 CN disclosed