SCHEMBL28868431

SCHEMBL28868431

C=C=C.COC(=O)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
DNMT1 P26358 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THPO P40225 1/20 0.33
TET2 Q6N021 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL27432 0.87
SCHEMBL27475050 0.84
SCHEMBL4633009 0.84
Hydrogen Peroxide SCHEMBL28038876 0.84
SCHEMBL4632179 0.84
SCHEMBL27817051 0.84
Ammonia Solution, Strong SCHEMBL29165044 0.81
SCHEMBL28836667 0.80 ALDH1A1 (0.83) ALDH1A1TDP1GAATSHRMAPT
Cyclopropane SCHEMBL27492181 0.79 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2ATDP1
Pyruvate SCHEMBL5054355 0.79 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2ATDP1

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-109070521-A Fire-resistant flexible hose 艾佛雷斯软管有限责任公司 2018-12-21 CN disclosed