Syringol

Syringol

SCHEMBL7939591

CCCCC1=C([Hf+2]C2=C(CCCC)C=CC2)CC=C1.COc1cccc(OC)c1[O-].COc1cccc(OC)c1[O-]

nearest known ligand 0.36

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
APLNR P35414 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.30
UTS2R Q9UKP6 1/20 0.30
SLC2A1 P11166 1/20 0.30

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
Syringol SCHEMBL7939374 0.82 ALOX5 (0.36) ALOX5PTGS2SMN1; SMN2PPARAELANE
Syringol SCHEMBL7939335 0.82 ALOX5 (0.36) ALOX5PTGS2SMN1; SMN2PPARAELANE
Phenol SCHEMBL4433100 0.80 ORAI1 (0.32)
Hydrochloric Acid SCHEMBL45368 0.79
SCHEMBL4576636 0.79
Fluoride Ion SCHEMBL1130342 0.79
Hydrochloric Acid SCHEMBL5486364 0.77
Hydrochloric Acid SCHEMBL2277860 0.76
Hydrochloric Acid SCHEMBL2276757 0.74 TDP1 (0.33)
Fluoride Ion SCHEMBL5085381 0.74 TDP1 (0.30)

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
US-6281320-B1 POLYOLEFIN CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2001-08-28 US disclosed