SCHEMBL8167105

SCHEMBL8167105

C=CCc1ccc(OCC(=C)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP3A4 P08684 2/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
PTGS1 P23219 2/20 0.41
ALOX5 P09917 1/20 0.41
AR P10275 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL29038545 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL16511583 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL24932778 0.78 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL5830687 0.76 ALOX15 (0.55) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL10484099 0.75 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL13063383 0.75 TDP1 (0.50) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL627031 0.74 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
Estragole SCHEMBL900647 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
Estragole SCHEMBL57204 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15
SCHEMBL23269519 0.74 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036805-B1 A polyethylene crosslinkable composition UNION CARBIDE CHEM PLASTIC (US) 2013-01-09 EP claimed
EP-1036805-A1 A polyethylene crosslinkable composition UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-09-20 EP claimed
EP-1036805-B1 A polyethylene crosslinkable composition UNION CARBIDE CHEM PLASTIC (US) 2013-01-09 EP disclosed
EP-1036805-A1 A polyethylene crosslinkable composition UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-09-20 EP disclosed