SCHEMBL30906014

SCHEMBL30906014

CCCCCCCCCc1ccc(O[PH](=O)OCC(CC)CCCC)cc1.[Ni]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
S1PR4 O95977 3/20 0.41
S1PR2 O95136 3/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR3 Q99500 2/20 0.41
HTR2A P28223 1/20 0.40
PPARA Q07869 1/20 0.40
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 2/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37

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
SCHEMBL330123 0.99 S1PR1 (0.43) S1PR1S1PR4S1PR2S1PR5S1PR3
SCHEMBL30250236 0.98 S1PR1 (0.42) S1PR1S1PR4S1PR2S1PR5S1PR3
SCHEMBL30111783 0.98 S1PR1 (0.42) S1PR1S1PR4S1PR2S1PR5S1PR3
SCHEMBL30250223 0.98 S1PR1 (0.42) S1PR1S1PR4S1PR2S1PR5S1PR3
SCHEMBL28844342 0.83 ALDH1A1 (0.42) PPARAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL29663716 0.82 HTR2A (0.42) S1PR1S1PR4S1PR2S1PR5S1PR3
SCHEMBL2767826 0.82 ALDH1A1 (0.49) PPARAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7018714 0.81 THRB (0.42) S1PR1S1PR4S1PR2S1PR5S1PR3
SCHEMBL7167553 0.81 HTR2A (0.43) S1PR1S1PR4S1PR2S1PR5S1PR3
SCHEMBL22003951 0.80 ALDH1A1 (0.45) PPARAPRSS1PRSS2PRSS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113825777-B Modified high cis polybutadiene polymers, related methods and tire components 株式会社普利司通 2025-01-28 CN disclosed
CN-118574860-A Hydrogenated polybutadiene polymer and rubber composition containing the same 株式会社普利司通 2024-08-30 CN disclosed
CN-113906058-B Modified high cis polybutadiene polymers, related methods and rubber compositions 普利司通美国轮胎运营有限责任公司 2024-05-17 CN disclosed