SCHEMBL11344826

SCHEMBL11344826

O=C(O)C(CCP(=O)(O)O)(CCP(=O)(O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.46
TYMS P04818 1/20 0.41
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
FOLH1 Q04609 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL9180410 0.79 GRM4 (0.46) GRM4TYMSLMNABLMMEN1
SCHEMBL11353091 0.75 GRM4 (0.43) GRM4TYMSLMNABLMMEN1
SCHEMBL11335828 0.75 GRM4 (0.43) GRM4TYMSLMNABLMMEN1
SCHEMBL179782 0.72 GRM4 (0.61) GRM4TYMSLMNABLMMEN1
SCHEMBL179781 0.72 GRM4 (0.61) GRM4TYMSLMNABLMMEN1
SCHEMBL13745593 0.72 GRM4 (0.61) GRM4TYMSLMNABLMMEN1
SCHEMBL6654898 0.72 GRM4 (0.45) GRM4TYMSLMNABLMMEN1
SCHEMBL11489691 0.72 GRM4 (0.50) GRM4TYMSLMNABLMMEN1
SCHEMBL406848 0.70 TYMS (0.50) GRM4TYMSLMNABLMCYP3A4
SCHEMBL19211969 0.69 GRM4 (0.52) GRM4TYMSLMNABLMALDH1A1

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-4252857-A Flameproofing substrate BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4246103-A INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed