SCHEMBL29159397

SCHEMBL29159397

CCCCCCCCCCCCc1cccc(OS(=O)(=O)Oc2cccc(CCCCCCCCCCCC)c2)c1.[KH]

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.58
PPARG P37231 5/20 0.58
FUT7 Q11130 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
LPL P06858 1/20 0.48
LIPG Q9Y5X9 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL29159395 0.98 PPARA (0.59) PPARAPPARGFUT7CA1CA2
SCHEMBL29159399 0.97 PPARA (0.58) PPARAPPARGFUT7CA1CA2
SCHEMBL28916873 0.87 PPARA (0.60) PPARAPPARGFUT7CA1CA2
SCHEMBL8770030 0.87 CA1 (0.70) PPARAPPARGFUT7CA1CA2
SCHEMBL8945709 0.87 PPARA (0.60) PPARAPPARGFUT7CA1CA2
SCHEMBL10180571 0.86 PPARA (0.56) PPARAPPARGFUT7CA1CA2
SCHEMBL10179751 0.86 PPARA (0.56) PPARAPPARGFUT7CA1CA2
SCHEMBL10179932 0.84 PPARA (0.53) PPARAPPARGFUT7CA1CA2
SCHEMBL10181555 0.82 PPARA (0.56) PPARAPPARGFUT7CA1CA2
Sulfuric Acid SCHEMBL8945715 0.82 PPARA (0.62) PPARAPPARGLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603671-A Petroleum aid for improving petroleum recovery ratio and preparation method thereof 陕西铭锐石油科技有限公司 2024-02-27 CN disclosed