SCHEMBL19938116

SCHEMBL19938116

CCN(CCOCCOCCOS(=O)(=O)c1ccc(C)cc1)c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GFER P55789 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA12 O43570 1/20 0.37

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
SCHEMBL5526595 1.00 CNR1 (0.41) CNR1CNR2ALDH1A1HPGDMAPT
SCHEMBL22160781 0.89 CNR2 (0.47) CNR1CNR2CA12CA9
SCHEMBL16731760 0.87 ALDH1A1 (0.35) CNR1CNR2ALDH1A1HPGDMAPT
SCHEMBL11663159 0.82 GFER (0.45) ALDH1A1HPGDMAPTGFERHTT
SCHEMBL19420444 0.81 CNR2 (0.51) CNR1CNR2CA12CA9
SCHEMBL9651534 0.80 CYP1A2 (0.45) CNR1CNR2ALDH1A1HPGDMAPT
SCHEMBL11648699 0.80 GFER (0.42) ALDH1A1HPGDMAPTGFERHTT
SCHEMBL11650288 0.79 GFER (0.44) ALDH1A1HPGDMAPTGFERCYP1A2
SCHEMBL11651321 0.79 GFER (0.44) ALDH1A1HPGDMAPTGFERCYP1A2
SCHEMBL11649868 0.79 GFER (0.44) ALDH1A1HPGDMAPTGFERCYP1A2

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-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 — — US disclosed
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