SCHEMBL9712828

SCHEMBL9712828

CCCCC(C)(CC)c1nnc(NC(=O)c2c(OC)cccc2OC)s1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 4/20 0.59
TP53 P04637 2/20 0.57
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
MAPT P10636 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.44
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL9713305 0.97 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713161 0.94 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713494 0.91 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713343 0.89 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713980 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713124 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712773 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712622 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712761 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713050 0.85 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10TP53ABL1

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
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed