SCHEMBL2569744

SCHEMBL2569744

C=COC(C)Oc1ccc([S+](c2ccccc2)c2ccc(OC(C)OC=C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL2566567 0.93 ALDH1A3 (0.32)
Tromethamine SCHEMBL3420453 0.87 PLA2G4A (0.33) KDM4ELTB4RLTB4R2
Cyclohexane SCHEMBL2574992 0.86 LTB4R (0.31) LTB4RLTB4R2
Trifluoromethanesulfonic Acid SCHEMBL2572040 0.86 GPR3 (0.31)
SCHEMBL3104291 0.84 KDM4E (0.41) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1344967 0.82 ALDH1A3 (0.39) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11694802 0.81 LTA4H (0.44) KDM4E
SCHEMBL28909330 0.81 CYP1A2 (0.50) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL3785666 0.80 PSEN1 (0.34)
SCHEMBL3776616 0.80 SLC22A12 (0.34) GAACYP2C9

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
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO claimed
EP-2384457-A2 COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2011-11-09 EP disclosed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO disclosed