SCHEMBL9712877

SCHEMBL9712877

CCCCC(CC)(CC)c1nnc(NC(=S)c2c(OC)cccc2OC)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PPARA Q07869 1/20 0.33
PLK1 P53350 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
LMNA P02545 1/20 0.31
UTS2R Q9UKP6 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
SLC2A1 P11166 1/20 0.30
MAOB P27338 1/20 0.30
ADORA2A P29274 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
TP53 P04637 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
SCHEMBL9713083 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10ABL1RIN1
SCHEMBL9712792 0.74 KDM4E (0.43) KDM4EALDH1A1HSD17B10PPARAABL1
SCHEMBL9713046 0.72 CYP1A2 (0.41) ALDH1A1PPARAPLK1ALOX5PTGS2
SCHEMBL9712776 0.72 CYP1A2 (0.36) PPARAPLK1ALOX5PTGS2TSHR
SCHEMBL9713027 0.71 PLK1 (0.36) KDM4EPPARAPLK1TSHRTP53
SCHEMBL9713194 0.70 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10ABL1RIN1
SCHEMBL9713207 0.69 SMN1; SMN2 (0.34) KDM4EALDH1A1HSD17B10ABL1RIN1
SCHEMBL9712900 0.68 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10ABL1RIN1
SCHEMBL9712823 0.68 SMN1; SMN2 (0.33) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL9713420 0.67 CYP1A2 (0.38) TAS1R3TAS1R1TAS1R2SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed