SCHEMBL9712792

SCHEMBL9712792

CCCCCCCCCC(CC)(CC)c1nnc(NC(=S)c2c(OC)cccc2OC)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TP53 P04637 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
PPARA Q07869 1/20 0.37
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9712900 0.90 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9712822 0.89 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9712761 0.88 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9717758 0.83 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9713015 0.82 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9712825 0.80 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9712565 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9713430 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9713360 0.77 ALDH1A1 (0.68) KDM4EALDH1A1HSD17B10TP53ABL1
SCHEMBL9712858 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10TP53ABL1

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