SCHEMBL28538532

SCHEMBL28538532

CCCC(=O)OCCO.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
ALDH1A1 P00352 1/20 0.50
DGKA P23743 1/20 0.50
ACHE P22303 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
DNM1 Q05193 1/20 0.41
NAAA Q02083 1/20 0.40
HTR2C P28335 1/20 0.40
TSHR P16473 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
EPHX2 P34913 1/20 0.37
PAM P19021 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 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
SCHEMBL50506 0.98
Ammonia Solution, Strong SCHEMBL15147557 0.95 MGLL (0.51) MGLLALDH1A1DGKAACHEADRA2A
SCHEMBL27490783 0.95 MGLL (0.51) MGLLALDH1A1DGKAACHEADRA2A
Methoxymethane SCHEMBL19666671 0.93 MGLL (0.50) MGLLALDH1A1DGKAACHEADRA2A
Cyclopropane SCHEMBL10564096 0.91 MGLL (0.49) MGLLALDH1A1DGKAACHEADRA2A
Ether SCHEMBL3263938 0.89 MGLL (0.47) MGLLALDH1A1DGKAACHEADRA2A
Propionic Acid SCHEMBL28110979 0.89 ALDH1A1 (0.50) MGLLALDH1A1DGKAACHEADRA2A
Butyric Acid SCHEMBL27174187 0.89 FFAR3 (0.54) MGLLALDH1A1DGKAACHEADRA2A
Phosphonic Acid SCHEMBL28543973 0.89 MGLL (0.47) MGLLALDH1A1DGKAACHEADRA2A
Ethylene Glycol Dibutanoate SCHEMBL50505 0.88 DGKA (0.58) MGLLALDH1A1DGKAADRA2AADRA1A

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-112399844-A Composition with long-lasting masking effect 莱雅公司 2021-02-23 CN disclosed