Allyl Hexanoate

Allyl Hexanoate

SCHEMBL28075735

C=CCOC(=O)CCCCC.CCCCCCCCCCCCS

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.84
DGKA P23743 2/20 0.53
DNM1 Q05193 1/20 0.49
PAM P19021 2/20 0.49
MAPT P10636 1/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL435885 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT
SCHEMBL439396 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT
SCHEMBL19133353 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT
Allyl Decanoate SCHEMBL436741 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT
SCHEMBL440501 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT
Allyl Heptanoate SCHEMBL20820 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT
Allyl Heptanoate SCHEMBL4147097 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT
Allyl Octanoate SCHEMBL126629 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT
SCHEMBL8944013 0.92 TSHR (0.68) TSHRDGKADNM1PAMMAPT
SCHEMBL3503097 0.92 TSHR (1.00) TSHRDGKADNM1PAMMAPT

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
CN-105623790-A Steam turbine oil composition and method for improving performances of steam turbine oil CHINA PETROLEUM & CHEM CORP 2016-06-01 CN disclosed