Allyl Heptanoate

Allyl Heptanoate

SCHEMBL21837284

C=C(C)C1CC=C(C)CC1.C=CCOC(=O)CCCCCC

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.55
▸ LMNA P02545 2/20 0.51
▸ ALOX15 P16050 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TRPA1 O75762 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ DGKA P23743 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ NAAA Q02083 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
(-)-Limonene SCHEMBL9394111 0.81 LMNA (0.77) TSHRLMNAALOX15MAPK1TRPA1
(-)-Limonene SCHEMBL20543185 0.81 LMNA (0.77) TSHRLMNAALOX15MAPK1TRPA1
(-)-Limonene SCHEMBL1273506 0.81 LMNA (0.63) TSHRLMNAALOX15MAPK1TRPA1
SCHEMBL15159012 0.79 TSHR (0.52) TSHRLMNAALOX15MAPK1TRPA1
SCHEMBL724353 0.79 TSHR (0.52) TSHRLMNAALOX15MAPK1TRPA1
Allyl Tetradecanoate SCHEMBL44611 0.74 TSHR (1.00) TSHRLMNAALDH1A1DGKA
SCHEMBL3468634 0.74 TSHR (1.00) TSHRLMNAALDH1A1DGKA
Hexadecanoic Acid Allyl Ester SCHEMBL370895 0.74 TSHR (1.00) TSHRLMNAALDH1A1DGKA
SCHEMBL3503097 0.74 TSHR (1.00) TSHRLMNAALDH1A1DGKA
SCHEMBL1176823 0.74 TSHR (1.00) TSHRLMNAALDH1A1DGKA

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
EP-3166586-B1 ANHYDROUS OIL BASED ON DELIVERY PARTICLES CONTAINING A BENEFIT AGENT OREAL (FR) 2020-04-15 — — EP disclosed
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