SCHEMBL11840666

SCHEMBL11840666

COC(C)(C)CCCC(C)CC=CC=CC(=O)OCCS

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52

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
SCHEMBL11841421 0.85 ALDH1A1 (0.58) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11841417 0.85 ALDH1A1 (0.58) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11850333 0.84 PTPN1 (0.35) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11851890 0.83 CYP3A4 (0.55) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11840664 0.83 CYP3A4 (0.52) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11851893 0.83 CYP3A4 (0.55) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11849203 0.83 ALDH1A1 (0.70) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11849196 0.83 ALDH1A1 (0.70) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11844493 0.82 ALDH1A1 (0.51) LMNATDP1ALDH1A1CYP3A4
SCHEMBL11844489 0.82 ALDH1A1 (0.51) LMNATDP1ALDH1A1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966780-A PESTICIDES, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-06-29 — — US disclosed
Send feedback