SCHEMBL29136155

SCHEMBL29136155

CCCCC(C)CCCC(=O)OCC.COC(=O)CCCCC=CCCCCCCC1C=CCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
ALOX15 P16050 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
USP2 O75604 1/20 0.63
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX2 P34913 2/20 0.40
DGKA P23743 1/20 0.38
PTGER2 P43116 2/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKCA P17252 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
SCHEMBL29136186 0.84 ALDH1A1 (0.64) ALDH1A1ALOX15TDP1USP2CYP3A4
SCHEMBL12794372 0.73 USP2 (0.59) ALDH1A1ALOX15TDP1USP2DGKA
Ethyl Oleate SCHEMBL28909631 0.73 ALOX15 (0.65) ALDH1A1ALOX15TDP1USP2CYP3A4
SCHEMBL3400540 0.72 ALDH1A1 (0.60) ALDH1A1ALOX15TDP1USP2CYP3A4
SCHEMBL3400533 0.72 ALDH1A1 (0.60) ALDH1A1ALOX15TDP1USP2CYP3A4
SCHEMBL12794355 0.72 ALDH1A1 (0.60) ALDH1A1ALOX15TDP1USP2CYP3A4
SCHEMBL10081542 0.71 ALDH1A1 (0.56) ALDH1A1ALOX15TDP1CYP3A4TSHR
SCHEMBL29136160 0.71 ALDH1A1 (0.57) ALDH1A1ALOX15TDP1USP2CYP3A4
SCHEMBL3320980 0.70 ALDH1A1 (0.55) ALDH1A1ALOX15TDP1USP2CYP3A4
SCHEMBL3318018 0.70 ALDH1A1 (0.55) ALDH1A1ALOX15TDP1USP2CYP3A4

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-117338661-A Application of light peel papaya peel in preparation of cosmetics 安康学院 2024-01-05 CN claimed