Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL27489455

CCCCCNC(CCC(=O)O)C(N)=O.N

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.48
AKR1B1 P15121 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL28835927 0.98 NOD1 (0.49) NOD1AKR1B1PLA2G10PLA2G2CGPR84
SCHEMBL2247417 0.98 NOD1 (0.49) NOD1AKR1B1PLA2G10PLA2G2CGPR84
SCHEMBL2244646 0.97 NOD1 (0.51) NOD1PLA2G10PLA2G2CGPR84PPARG
SCHEMBL30812451 0.97 NOD1 (0.51) NOD1PLA2G10PLA2G2CGPR84PPARG
SCHEMBL2251083 0.97 NOD1 (0.51) NOD1PLA2G10PLA2G2CGPR84PPARG
Hydrochloric Acid SCHEMBL29178099 0.95 NOD1 (0.50) NOD1PLA2G10PLA2G2CGPR84PPARG
Ammonia Solution, Strong SCHEMBL7072310 0.87 NOD1 (0.57) NOD1AKR1B1PLA2G10PLA2G2CGPR84
Ammonia Solution, Strong SCHEMBL9940081 0.87 NOD1 (0.57) NOD1AKR1B1PLA2G10PLA2G2CGPR84
Ammonia Solution, Strong SCHEMBL4416355 0.87 NOD1 (0.57) NOD1AKR1B1PLA2G10PLA2G2CGPR84
SCHEMBL2242492 0.86 FOLH1 (0.41) NOD1PLA2G10ALDH1A1

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-1102382-C Preparation and methods for the treatment of T cell mediated diseases YEDA RES & DEV (IL) 2003-03-05 CN disclosed
CN-1193907-A Preparation and methods for the treatment of T cell mediated diseases YEDA RES & DEV (IL) 1998-09-23 CN disclosed