Syringol

Syringol

SCHEMBL7938394

CC1=C([Zr+2]C2=C(C)C=CC2)CC=C1.COc1cccc(OC)c1[O-].COc1cccc(OC)c1[O-]

nearest known ligand 0.33

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
TOP1 P11387 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31

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 SCHEMBL7938380 0.79 ALOX5 (0.32) SMN1; SMN2POLBMEN1KMT2AALDH1A1
Phenol SCHEMBL4437329 0.75
Bromide SCHEMBL6206598 0.73
Fluoride Ion SCHEMBL1131183 0.73
Hydrochloric Acid SCHEMBL153366 0.73
Hydrochloric Acid SCHEMBL820434 0.71
Syringol SCHEMBL6049239 0.71 CA1 (0.55) ENPP2TOP1SMN1; SMN2ORAI1ORAI2
Syringol SCHEMBL8986498 0.69 CA1 (0.52) ENPP2TOP1SMN1; SMN2ORAI1ORAI2
Hydrochloric Acid SCHEMBL7549765 0.66 NR3C1 (0.38) TOP1SMN1; SMN2CA1CA2CA7
SCHEMBL7937070 0.65 ALDH1A1 (0.32) MEN1KMT2AGAACYP2A6ALDH1A1

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