SCHEMBL29980649

SCHEMBL29980649

CCCCC(=O)OCC.CCCCC/C=C/C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
PTGS2 P35354 1/20 0.51
PDE4D Q08499 1/20 0.51
FAAH O00519 2/20 0.50
MGLL Q99685 1/20 0.50
THRB P10828 1/20 0.49
CNR1 P21554 1/20 0.49
DGKA P23743 1/20 0.48
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL5168959 0.95 ALDH1A1 (0.59) MAPTALDH1A1CYP3A4ALOX15TSHR
SCHEMBL5168966 0.95 ALDH1A1 (0.59) MAPTALDH1A1CYP3A4ALOX15TSHR
SCHEMBL5074573 0.90 MAPT (0.66) MAPTALDH1A1CYP3A4ALOX15TSHR
SCHEMBL5074574 0.90 MAPT (0.66) MAPTALDH1A1CYP3A4ALOX15TSHR
SCHEMBL27487508 0.90 MAPT (0.70) MAPTALDH1A1ALOX15HSD17B10FAAH
SCHEMBL872985 0.90 MAPT (0.70) MAPTALDH1A1ALOX15HSD17B10FAAH
SCHEMBL872986 0.90 MAPT (0.70) MAPTALDH1A1ALOX15HSD17B10FAAH
SCHEMBL25404144 0.88 MAPT (0.68) MAPTALDH1A1ALOX15HSD17B10FAAH
SCHEMBL1503665 0.88 MAPT (0.68) MAPTALDH1A1ALOX15HSD17B10FAAH
SCHEMBL21027289 0.88 MAPT (0.68) MAPTALDH1A1ALOX15HSD17B10FAAH

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-113163841-B Aerosol formulation 尼科创业贸易有限公司 2022-10-04 CN disclosed