SCHEMBL4413844

SCHEMBL4413844

NC(N)(CCCCP(=O)(O)O)C(N)(N)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.44
GRM4 Q14833 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 1/20 0.40
FDPS P14324 5/20 0.39
SMPD1 P17405 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
BBOX1 O75936 1/20 0.34

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
SCHEMBL1285642 0.77 TYMS (0.46) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL1286214 0.75 LPAR3 (0.45) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL4413277 0.73 TYMS (0.52) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL2319390 0.73 GGPS1 (0.58) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL1260815 0.71 LPAR3 (0.50) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL19212014 0.71 GGPS1 (0.56) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL20699854 0.71 LPAR3 (0.50) TYMSGRM4LMNACYP3A4NFKB1
Bromide SCHEMBL8945927 0.71 TYMS (0.73) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL17964390 0.71 LPAR3 (0.50) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL20235 0.71 TYMS (0.85) TYMSLMNACYP3A4NFKB1BLM

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
EP-1554367-B1 DETERGENT COMPOSITION EXHIBITING ENHANCED STAIN REMOVAL THERMPHOS TRADING GMBH (CH) 2009-01-07 EP claimed