Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28224949

CC(O)C(C)(C)c1ccccc1.N

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPA1 O75762 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL2429063 0.97 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL42770 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL7757949 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL28531948 0.81 SLC6A4 (0.42) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL575235 0.79 MAPK1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL9279074 0.79 MAPK1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL11133348 0.78 ALDH1A1 (0.43) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL8319549 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL11740112 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL4352236 0.77 MAPK1 (0.44) ALDH1A1ALOX15ESR1ESR2CYP3A4

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-108148394-A The stable mono-component polyurethane prepreg of storage from urethane composition and thus obtained formed body 赢创德固赛有限公司 2018-06-12 CN claimed
CN-108148394-A The stable mono-component polyurethane prepreg of storage from urethane composition and thus obtained formed body 赢创德固赛有限公司 2018-06-12 CN disclosed