Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7713404

CCCCc1ccc2ccccc2c1C(=O)O.N

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 5/20 0.49
MCL1 Q07820 5/20 0.49
BCL2L1 Q07817 4/20 0.49
BAK1 Q16611 4/20 0.49
PPARA Q07869 3/20 0.49
KAT8 Q9H7Z6 2/20 0.49
PPARG P37231 2/20 0.49
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
KAT5 Q92993 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 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
Ammonia Solution, Strong SCHEMBL7713405 1.00 BID (0.49) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL3223372 0.98 BID (0.50) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL4296407 0.94 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL7720490 0.94 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL7720480 0.94 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL7717892 0.94 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL7719010 0.94 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL4297489 0.94 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL4289316 0.94 BID (0.57) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL7719012 0.94 BID (0.57) BIDMCL1BCL2L1BAK1PPARA

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
US-6383275-B1 MIXTURE OF WATER, COLORANT AD WATER SOLUBLE DISCOLORATION INHIBITOR XEROX CORPORATION 2002-05-07 US claimed
US-6383275-B1 MIXTURE OF WATER, COLORANT AD WATER SOLUBLE DISCOLORATION INHIBITOR XEROX CORPORATION 2002-05-07 US disclosed