SCHEMBL9713470

SCHEMBL9713470

CCCCC(CCC)(CCC)c1cc(NC(=O)c2c(OC)cccc2OCC)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9712823 0.89 SMN1; SMN2 (0.33) SMN1; SMN2TSHRTP53KCNK3KCNK9
SCHEMBL9713120 0.82 ALDH1A1 (0.43) SMN1; SMN2TSHRTP53ALDH1A1KDM4E
SCHEMBL9713624 0.79 SMN1; SMN2 (0.41) SMN1; SMN2TSHRTP53KCNK3KCNK9
SCHEMBL9712744 0.78 ALDH1A1 (0.45) SMN1; SMN2TSHRTP53ALDH1A1KDM4E
SCHEMBL9712819 0.78 ALDH1A1 (0.45) SMN1; SMN2TSHRTP53ALDH1A1KDM4E
SCHEMBL9712910 0.77 MAPT (0.50) SMN1; SMN2TSHRTP53ALDH1A1KDM4E
SCHEMBL9712925 0.70 ALDH1A1 (0.42) SMN1; SMN2TSHRTP53ALDH1A1KDM4E
SCHEMBL9713083 0.68 ALDH1A1 (0.44) SMN1; SMN2TSHRTP53ALDH1A1KDM4E
SCHEMBL9713040 0.68 TP53 (0.49) SMN1; SMN2TSHRTP53KCNK3KCNK9
SCHEMBL9713296 0.68 TP53 (0.45) SMN1; SMN2TSHRTP53CYP1A2CYP3A4

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
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed