Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7713469

CCCCCCc1cc2ccccc2c(C(=O)O)c1CCCCCC.N

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.50
MCL1 Q07820 6/20 0.50
BCL2L1 Q07817 5/20 0.50
BAK1 Q16611 5/20 0.50
KAT8 Q9H7Z6 3/20 0.50
PPARA Q07869 3/20 0.50
PPARG P37231 2/20 0.50
SAE1 Q9UBE0 2/20 0.50
EP300 Q09472 2/20 0.50
KAT5 Q92993 2/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47

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 SCHEMBL7713467 1.00 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1176173 0.99 BID (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27266684 0.99 BID (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL163402 0.99 BID (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27715457 0.97 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28277939 0.97 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7594370 0.97 KDM4E (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7745863 0.93 KDM4E (0.51) BIDMCL1BCL2L1BAK1KAT8
Ammonia Solution, Strong SCHEMBL7718345 0.88 KDM4E (0.49) BIDMCL1BCL2L1BAK1KAT8
Ammonia Solution, Strong SCHEMBL7718348 0.88 KDM4E (0.49) BIDMCL1BCL2L1BAK1KAT8

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