SCHEMBL9712651

SCHEMBL9712651

CC(C)=CC1C(C)C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1579393 0.79 ALOX15 (0.54) ALOX15LMNATSHRNPSR1CYP1A2
SCHEMBL15478704 0.78 ALOX15 (0.33) ALOX15
SCHEMBL26626329 0.78 ALOX15 (0.33) ALOX15
SCHEMBL6760763 0.77 HPGD (0.37) ALOX15LMNATSHRNPSR1
SCHEMBL6760454 0.77 HPGD (0.37) ALOX15LMNATSHRNPSR1
SCHEMBL10583321 0.77 HPGD (0.37) ALOX15LMNATSHRNPSR1
SCHEMBL15478701 0.74 ALOX15 (0.50) ALOX15LMNA
SCHEMBL6760474 0.74 ALOX15 (0.30) ALOX15
SCHEMBL14255716 0.74 ALOX15 (0.31) ALOX15
SCHEMBL14255715 0.74 ALOX15 (0.40) ALOX15

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 7 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
EP-0006978-A2 Benzyl esters with fluorinated ether and/or thioether groups, their preparations and their use as insecticides; intermediate products and their preparations BAYER AG (DE) 1980-01-23 EP disclosed