SCHEMBL11516664

SCHEMBL11516664

CP(=O)(CCC(=O)O)OCCCl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
BBOX1 O75936 3/20 0.32
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
GRM7 Q14831 1/20 0.30
GRM4 Q14833 1/20 0.30
GGH Q92820 1/20 0.30

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
SCHEMBL2403438 0.86 ALDH1A1 (0.39) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL6429759 0.82 ALDH1A1 (0.36) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL11514909 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11459183 0.80 ALDH1A1 (0.44) ALDH1A1BBOX1GRM8GRM6GRM7
SCHEMBL11399062 0.79 ALDH1A1 (0.52) ALDH1A1
SCHEMBL9945634 0.78 PPARD (0.40) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL11861591 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1501506 0.74 LMNA (0.38) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL9219249 0.74 GLUL (0.44) GRM8GRM6GRM7GRM4
SCHEMBL258608 0.73 TSHR (0.46) ALDH1A1

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
US-4179483-A 2-Chloroethyl phosphonates MONSANTO COMPANY (US) 1979-12-18 US disclosed