SCHEMBL11747413

SCHEMBL11747413

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

nearest known ligand 0.47

Predicted protein targets (top 6)

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
▸ PTPN1 P18031 1/20 0.35
▸ BLM P54132 1/20 0.31

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
SCHEMBL11747418 1.00 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4TDP1PTPN1
SCHEMBL11765471 0.89 ALDH1A1 (0.46) ALDH1A1LMNACYP3A4TDP1PTPN1
Kinoprene SCHEMBL2233054 0.86 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TDP1PTPN1
Kinoprene SCHEMBL29395462 0.86 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TDP1PTPN1
Kinoprene SCHEMBL43180 0.86 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TDP1PTPN1
Kinoprene SCHEMBL2233050 0.86 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TDP1PTPN1
Hydroprene SCHEMBL2231130 0.83 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4TDP1PTPN1
Hydroprene SCHEMBL2231129 0.83 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4TDP1PTPN1
SCHEMBL11764304 0.83 LMNA (0.52) ALDH1A1LMNACYP3A4TDP1PTPN1
SCHEMBL11765022 0.83 LMNA (0.52) ALDH1A1LMNACYP3A4TDP1PTPN1

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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