SCHEMBL19675005

SCHEMBL19675005

C=Cc1ccc(CP(OC(C)(C)C)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL702989 0.76 ALDH1A1 (0.44) ALDH1A1TP53CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL699405 0.74 ALDH1A1 (0.42) ALDH1A1TP53CHRNB2CHRNB4CHRNA3
SCHEMBL26620971 0.72 ALDH1A1 (0.55) ALDH1A1TP53TAS1R3TAS1R1CHRNB2
SCHEMBL5199665 0.72 ALDH1A1 (0.44) ALDH1A1TP53CHRNB2CHRNB4CHRNA3
SCHEMBL5199704 0.72 ALDH1A1 (0.44) ALDH1A1TP53CHRNB2CHRNB4CHRNA3
SCHEMBL22505546 0.69 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5199670 0.69 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1611980 0.69 THRA (0.53) ALDH1A1TP53TAS1R3TAS1R1CHRNB2
SCHEMBL21301828 0.68 ALDH1A1 (0.39) ALDH1A1TP53CHRNB2CHRNB4CHRNA3
SCHEMBL24549493 0.67 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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
EP-3252680-A1 AUTHENTICATION METHOD OF A TWO DIMENSIONAL BAR CODE Agfa Graphics NV (BE) 2017-12-06 EP disclosed