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Sugi Predict / Compounds / SCHEMBL11850333

SCHEMBL11850333

SCHEMBL11850333

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL11840666 0.84 LMNA (0.52) LMNATDP1CYP3A4ALDH1A1
SCHEMBL7544646 0.81 ALDH1A1 (0.39) PTPN1BLMLMNATDP1CYP3A4
SCHEMBL7544647 0.81 ALDH1A1 (0.39) PTPN1BLMLMNATDP1CYP3A4
SCHEMBL11832855 0.81 CYP3A4 (0.46) PTPN1BLMLMNATDP1CYP3A4
SCHEMBL11832909 0.81 CYP3A4 (0.46) PTPN1BLMLMNATDP1CYP3A4
SCHEMBL11850331 0.81 PTPN1 (0.38) PTPN1BLMLMNATDP1CYP3A4
SCHEMBL11845229 0.80 ZDHHC20 (0.38) PTPN1BLMLMNATDP1CYP3A4
SCHEMBL11845237 0.80 ZDHHC20 (0.38) PTPN1BLMLMNATDP1CYP3A4
SCHEMBL11835660 0.76 BLM (0.46) PTPN1BLMLMNATDP1CYP3A4
SCHEMBL11835658 0.76 BLM (0.46) PTPN1BLMLMNATDP1CYP3A4

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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