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SCHEMBL11844493

SCHEMBL11844493

C#CCOC(=O)C=CC=CCC(C)CCCC(C)(C)OC

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ZDHHC20 Q5W0Z9 1/20 0.34

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
SCHEMBL11844489 1.00 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4TDP1ZDHHC20
SCHEMBL11840117 0.89 CYP3A4 (0.38) ALDH1A1LMNACYP3A4TDP1ZDHHC20
SCHEMBL11840112 0.89 CYP3A4 (0.38) ALDH1A1LMNACYP3A4TDP1ZDHHC20
SCHEMBL11845229 0.84 ZDHHC20 (0.38) ALDH1A1LMNACYP3A4TDP1ZDHHC20
SCHEMBL11845237 0.84 ZDHHC20 (0.38) ALDH1A1LMNACYP3A4TDP1ZDHHC20
SCHEMBL11841421 0.84 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11841417 0.84 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11840666 0.82 LMNA (0.52) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11851893 0.82 CYP3A4 (0.55) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11851890 0.82 CYP3A4 (0.55) ALDH1A1LMNACYP3A4TDP1

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

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