SCHEMBL4413277

SCHEMBL4413277

NC(N)(CCCP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.52
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
GRM4 Q14833 1/20 0.50
ALDH1A1 P00352 3/20 0.42
FDPS P14324 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR2 Q9HBW0 1/20 0.41
BBOX1 O75936 1/20 0.39
ENPEP Q07075 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
Cyclohexane SCHEMBL7100211 0.93 TYMS (0.46) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL1285912 0.81 TYMS (0.48) TYMSLMNACYP3A4NFKB1BLM
Water SCHEMBL9900532 0.79 TYMS (0.46) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL2318641 0.77 TYMS (0.55) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL10764074 0.77 TYMS (0.55) TYMSLMNACYP3A4NFKB1BLM
Ethylenediamine SCHEMBL583838 0.75 LMNA (0.56) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL16107520 0.75 GRM4 (0.50) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL1285642 0.75 TYMS (0.46) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL19212014 0.73 GGPS1 (0.56) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL2319103 0.73 TYMS (0.50) 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 6 patents. 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
EP-0670880-A1 SILICON-FREE FOAM-CONTROL AGENT Henkel Kommanditgesellschaft auf Aktien (DE) 1995-09-13 EP disclosed
WO-1994012604-A1 SILICON-FREE FOAM-CONTROL AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-06-09 WO disclosed
US-4497725-A HYDROGEN PEROXIDE, AMINE COMPOUND INTEROX CHEMICALS LTD. (GB) 1985-02-05 US disclosed
US-4347149-A Aqueous bleach compositions INTEROX CHEMICALS LIMITED (GB) 1982-08-31 US disclosed
US-4056430-A ALKYLENEAMINOPHOSPHONIC ACID BENCKISER-KNAPSACK GMBH (DT) 1977-11-01 US disclosed