SCHEMBL9713097

SCHEMBL9713097

CCC(CC)(CC)[C](C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2896655 0.69 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL8074334 0.69 ALDH1A1 (0.41) TSHRTDP1ALDH1A1LMNAHSD17B10
SCHEMBL27830843 0.67 ALDH1A1 (0.39) TDP1ALDH1A1LMNAHSD17B10
SCHEMBL8766515 0.67
SCHEMBL3927240 0.65 CES2 (0.33) TSHR
SCHEMBL11419931 0.64 TSHR (0.31) TSHRTDP1
SCHEMBL15910598 0.64
SCHEMBL100145 0.64
SCHEMBL173322 0.62 FFAR3 (0.41) TSHRTDP1ALDH1A1
SCHEMBL899422 0.62 TDP1 (0.33) TDP1ALDH1A1

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