SCHEMBL5540735

SCHEMBL5540735

O=C(O)C(CCCP(=O)(O)O)(C(=O)O)C(=O)O.[Zr]

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.48
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 1/20 0.38
BBOX1 O75936 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL406848 0.98 TYMS (0.50) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL29088269 0.95 TYMS (0.48) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL16267868 0.95 TYMS (0.48) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL9180410 0.83 GRM4 (0.46) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL5540738 0.76
SCHEMBL16267866 0.76 TYMS (0.46) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL5072264 0.72 TYMS (0.42) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL27649059 0.72 TYMS (0.42) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL3023034 0.71 TYMS (0.46) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL27518999 0.71 TYMS (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075028-A1 NOVEL METAL(III)-CHROMIUM-PHOSPHATE COMPLEX AND USE THEREOF LG CHEM, LTD. (KR) 2007-07-05 WO disclosed
US-20070148520-A1 Novel metal (III) -chromium-phosphate complex and use thereof LG CHEM, LTD. (KR) 2007-06-28 US disclosed