SCHEMBL9712779

SCHEMBL9712779

CCCOc1cccc(OCCC)c1C(=O)Nc1nc(C(C)(CC)CC)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4D Q08499 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
SCHEMBL9712640 0.76 TP53 (0.54) TP53ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL9712935 0.74 TSHR (0.49) TP53TSHRALDH1A1KDM4EHSD17B10
SCHEMBL11105736 0.70 ALDH1A1 (0.49) TP53TSHRALDH1A1KDM4EHSD17B10
SCHEMBL9712768 0.68 ALDH1A1 (0.44) TP53TSHRALDH1A1KDM4EHSD17B10
SCHEMBL9713651 0.67 TSHR (0.55) TP53TSHRALDH1A1MAPTLMNA
SCHEMBL9713494 0.67 ALDH1A1 (0.67) TP53TSHRALDH1A1KDM4EHSD17B10
SCHEMBL9712989 0.66 ALDH1A1 (0.53) TP53TSHRALDH1A1KDM4EHSD17B10
SCHEMBL11184965 0.66 ALDH1A1 (0.47) TP53TSHRALDH1A1KDM4EHSD17B10
SCHEMBL9713161 0.66 ALDH1A1 (0.61) TP53TSHRALDH1A1KDM4EHSD17B10
SCHEMBL9712911 0.66 ALDH1A1 (0.47) TP53TSHRALDH1A1KDM4EHSD17B10

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