SCHEMBL20609092

SCHEMBL20609092

CC(=O)OCCN1CCN(CCOC(C)=O)CCN(CCOC(C)=O)CCN(CCOC(C)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.56
ALDH1A1 P00352 5/20 0.46
SLC29A1 Q99808 2/20 0.45
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9328257 1.00
SCHEMBL11858444 0.94 SLC18A3 (0.51) SLC18A3ALDH1A1SLC29A1CHRM5CHRM1
SCHEMBL14500225 0.94 SLC18A3 (0.51) SLC18A3ALDH1A1SLC29A1CHRM5CHRM1
SCHEMBL8148114 0.92 SLC18A3 (0.50) SLC18A3ALDH1A1SLC29A1TSHRGAA
SCHEMBL13236346 0.92 SLC18A3 (0.50) SLC18A3ALDH1A1SLC29A1CHRM5CHRM1
SCHEMBL65995 0.91 SLC18A3 (0.53) SLC18A3ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL24340599 0.90 SLC18A3 (0.49) SLC18A3ALDH1A1SLC29A1CHRM5CHRM1
SCHEMBL9035398 0.90 SLC18A3 (0.49) SLC18A3ALDH1A1SLC29A1CHRM5CHRM1
SCHEMBL14586768 0.90 DRD3 (0.54) SLC18A3ALDH1A1SLC29A1DRD3HRH3
SCHEMBL64545 0.89 KMT2A (0.51) SLC18A3ALDH1A1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975318-B2 Use of rare earth complexes as markers of petroleum products, crude oils, biofuels or lubricants INOVENTEAM (FR) 2021-04-13 US disclosed
US-20190010413-A1 USE OF RARE EARTH COMPLEXES AS MARKERS OF PETROLEUM PRODUCTS, CRUDE OILS, BIOFUELS OR LUBRICANTS INOVENTEAM (FR) 2019-01-10 US disclosed