SCHEMBL9712989

SCHEMBL9712989

CC=CCC(C)(C)c1nnc(NC(=O)c2c(OC)cccc2OCCC)s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 3/20 0.53
TP53 P04637 1/20 0.50
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
MAPT P10636 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESRRA P11474 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL9713361 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713627 0.81 TP53 (0.59) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713050 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712941 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713343 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713124 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713061 0.78 TP53 (0.62) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712699 0.78 TP53 (0.62) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713383 0.77 TP53 (0.61) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713388 0.77 TP53 (0.61) 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 8 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-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed