SCHEMBL11748839

SCHEMBL11748839

C#CCOC(=O)/C=C(C)/C=C/CC(C)CCCC(C)CC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ZDHHC20 Q5W0Z9 1/20 0.36

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
SCHEMBL11748850 1.00 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4TDP1ZDHHC20
Kinoprene SCHEMBL2233054 0.91 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TDP1ZDHHC20
Kinoprene SCHEMBL29395462 0.91 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TDP1ZDHHC20
Kinoprene SCHEMBL2233050 0.91 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TDP1ZDHHC20
Kinoprene SCHEMBL43180 0.91 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TDP1ZDHHC20
SCHEMBL11851273 0.90 CYP3A4 (0.47) ALDH1A1LMNACYP3A4TDP1ZDHHC20
SCHEMBL11851276 0.90 CYP3A4 (0.47) ALDH1A1LMNACYP3A4TDP1ZDHHC20
SCHEMBL11764848 0.86 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11764845 0.86 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11766310 0.85 ALDH1A1 (0.51) 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-4024278-A Mite control using alkyl esters of alkynyl acids ZOECON CORPORATION (US) 1977-05-17 — — US disclosed
US-3996380-A Alkynyl esters for controlling mites ZOECON CORPORATION (US) 1976-12-07 — — US disclosed
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