SCHEMBL8540242

SCHEMBL8540242

O=C(O)CC(CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
CPA1 P15085 2/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL2037914 0.80 SLC22A6 (0.48) TDP1CPT2ACLYSMN1; SMN2ALDH1A1
SCHEMBL28274392 0.79 SMN1; SMN2 (0.43) TDP1CPT2ACLYSMN1; SMN2ALDH1A1
SCHEMBL16397732 0.76 CYP2D6 (0.34) CPT2ACLYALDH1A1
SCHEMBL3071719 0.76 TDP1 (0.38) TDP1CPT2ACLY
SCHEMBL290603 0.75 CPT2 (0.32) CPT2ACLYSMN1; SMN2ALDH1A1
SCHEMBL1989298 0.74 ALDH1A1 (0.39) CPT2ACLYALDH1A1
SCHEMBL8741818 0.74 ALDH1A1 (0.39) CPT2ACLYALDH1A1
SCHEMBL3955192 0.74 CPT2 (0.32) CPT2ACLY
SCHEMBL3647978 0.74 CPT2 (0.32) CPT2ACLY
SCHEMBL28954895 0.74 CPT2 (0.32) CPT2ACLY

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-5759929-A WOOD PULP PAPER SHEET LAMINATED ON A BIODEGRADABLE ALIPHATIC POLYESTER FILAMENT NON-WOVEN FABRIC; WHEN PLACED ON AN EMBARKMENT OR DIKE SHEET CAN PREVENT THE WASHING AWAY OF SEEDS AND SOIL INTO WATER NEW OJI PAPER CO., LTD. (JP) 1998-06-02 US disclosed