SCHEMBL9717758

SCHEMBL9717758

CCC(CC)(Cc1ccccc1)c1nnc(NC(=S)c2c(OC)cccc2OC)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
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
SCHEMBL9712900 0.90 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9713139 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9712792 0.83 KDM4E (0.43) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9713015 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9713360 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9712565 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9712858 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9712822 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9713228 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TSHRTP53
SCHEMBL9712878 0.74 TP53 (0.59) ALDH1A1KDM4EHSD17B10TSHRTP53

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