SCHEMBL28113768

SCHEMBL28113768

C=CCOC(=O)OCC=C.CCN(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 4/20 0.44
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
HSD17B10 Q99714 3/20 0.33
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SOAT1 P35610 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL27940391 0.85 MEN1 (0.44) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL6570568 0.85 MEN1 (0.44) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL9928 0.83 CYP3A4 (0.48) MEN1KMT2ATSHRALDH1A1CYP3A4
SCHEMBL44777 0.82
Hydrochloric Acid SCHEMBL6485439 0.81 CYP3A4 (0.46) MEN1KMT2ATSHRALDH1A1CYP3A4
SCHEMBL9551714 0.81 CYP3A4 (0.46) MEN1KMT2ATSHRALDH1A1CYP3A4
Ethylene SCHEMBL3010758 0.81 CYP3A4 (0.46) MEN1KMT2ATSHRALDH1A1CYP3A4
Ethylene SCHEMBL9717606 0.81 CYP3A4 (0.46) MEN1KMT2ATSHRALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL1972381 0.81 CYP3A4 (0.46) MEN1KMT2ATSHRALDH1A1CYP3A4
SCHEMBL28554037 0.81 CYP3A4 (0.46) MEN1KMT2ATSHRALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106118496-A A kind of strong viscosity accumulator sealant of diethylene glycol dilaurate based on epoxy resin and manufacture method 哈尔滨永淇化工有限公司 2016-11-16 CN claimed
CN-106118496-A A kind of strong viscosity accumulator sealant of diethylene glycol dilaurate based on epoxy resin and manufacture method 哈尔滨永淇化工有限公司 2016-11-16 CN disclosed