SCHEMBL28249376

SCHEMBL28249376

C=CCOC(=O)CCCC.CC(C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 4/20 0.43
PAM P19021 2/20 0.42
DGKA P23743 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCE Q02156 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
SCHEMBL437266 0.89 TSHR (0.85) TSHRTDP1MAPTLMNAPAM
Hydrochloric Acid SCHEMBL28208921 0.88 TSHR (0.82) TSHRTDP1MAPTLMNAPAM
Allyl Hexanoate SCHEMBL21086 0.84 TSHR (0.96) TSHRTDP1MAPTLMNAPAM
Allyl Hexanoate SCHEMBL1869217 0.84 TSHR (0.96) TSHRTDP1MAPTLMNAPAM
Allyl Hexanoate SCHEMBL27777471 0.83 TSHR (0.86) TSHRMAPTLMNAPAMDGKA
SCHEMBL29150542 0.83 TSHR (0.74) TSHRTDP1MAPTLMNAPAM
Allyl Heptanoate SCHEMBL4147097 0.82 TSHR (1.00) TSHRMAPTLMNAPAMDGKA
Allyl Octanoate SCHEMBL126629 0.82 TSHR (1.00) TSHRMAPTLMNAPAMDGKA
SCHEMBL3503097 0.82 TSHR (1.00) TSHRMAPTLMNAPAMDGKA
Allyl Heptanoate SCHEMBL20820 0.82 TSHR (1.00) TSHRMAPTLMNAPAMDGKA

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-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed