SCHEMBL28249604

SCHEMBL28249604

CCCCCC=CC(=O)OCC.CCOC(=O)CCc1ccco1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
PPARA Q07869 1/20 0.41
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL64663 0.82 ALDH1A1 (0.51) MAPTALDH1A1TSHRHSD17B10USP2
SCHEMBL11791346 0.81 ALDH1A1 (0.51) MAPTELANEALDH1A1FAAH
SCHEMBL11791353 0.81 ALDH1A1 (0.51) MAPTELANEALDH1A1FAAH
SCHEMBL11792653 0.81 ALDH1A1 (0.51) MAPTELANEALDH1A1FAAH
SCHEMBL29980649 0.78 MAPT (0.58) MAPTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL5168959 0.76 ALDH1A1 (0.59) MAPTPPARAALDH1A1TDP1CYP3A4
SCHEMBL5168966 0.76 ALDH1A1 (0.59) MAPTPPARAALDH1A1TDP1CYP3A4
SCHEMBL122922 0.75 ELANE (0.59) ELANEALDH1A1FAAH
SCHEMBL122921 0.75 ELANE (0.59) ELANEALDH1A1FAAH
SCHEMBL6641439 0.75 CYP4F2 (0.55) MAPTALDH1A1TDP1CYP3A4ALOX15

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