SCHEMBL11835482

SCHEMBL11835482

CC(C)CCCC(C)CC=CC=CC(=O)OC(C)C=S

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL7544646 0.81 ALDH1A1 (0.39) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL7544647 0.81 ALDH1A1 (0.39) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL11850331 0.81 PTPN1 (0.38) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL11835658 0.76 BLM (0.46) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL11835660 0.76 BLM (0.46) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL11832855 0.76 CYP3A4 (0.46) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL11832909 0.76 CYP3A4 (0.46) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL11850333 0.76 PTPN1 (0.35) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL10768922 0.75 ALDH1A1 (0.50) LMNAALDH1A1CYP3A4TDP1BLM
SCHEMBL11845229 0.75 ZDHHC20 (0.38) LMNAALDH1A1CYP3A4TDP1BLM

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
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