SCHEMBL9712898

SCHEMBL9712898

CCCOCCCCCCCOC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TSHR P16473 3/20 0.50
CES2 O00748 1/20 0.50
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ACHE P22303 6/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL144021 0.98 ALDH1A1 (0.67) ALDH1A1TSHRCES2NAAAEPHX1
SCHEMBL13034063 0.93 ALDH1A1 (0.67) ALDH1A1TSHRCES2NAAAEPHX1
SCHEMBL2254001 0.93 ALDH1A1 (0.67) ALDH1A1TSHRCES2NAAAEPHX1
SCHEMBL13817606 0.91 TSHR (0.61) ALDH1A1TSHRCES2NAAAMEN1
SCHEMBL6281199 0.91 ALDH1A1 (0.78) ALDH1A1TSHRCES2NAAAEPHX1
SCHEMBL22984496 0.91 ALDH1A1 (0.64) ALDH1A1TSHRCES2NAAAMEN1
SCHEMBL10557713 0.89 ALDH1A1 (0.68) ALDH1A1TSHRCES2NAAAEPHX1
SCHEMBL10893909 0.89 ALDH1A1 (0.82) ALDH1A1TSHRCES2NAAAEPHX1
SCHEMBL2381459 0.89 ALDH1A1 (0.82) ALDH1A1TSHRCES2NAAAEPHX1
SCHEMBL6661477 0.89 ALDH1A1 (0.64) ALDH1A1TSHRCES2NAAALMNA

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