SCHEMBL9713145

SCHEMBL9713145

CCCOc1cccc(OCCC)c1C(=O)Nc1nnc(C2(CC)CCCCCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 3/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
TSHR P16473 6/20 0.40
MAPT P10636 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 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
SCHEMBL9713543 0.91 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713417 0.89 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712743 0.89 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713264 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713248 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713090 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713390 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9712663 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713253 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10TP53ABL1
SCHEMBL9713288 0.76 ALDH1A1 (0.38) 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