SCHEMBL724482

SCHEMBL724482

O=C(O)C1(C(=O)O)CC(O)C1(C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.32
GRM8 O00222 2/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
CYP2C19 P33261 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM6 O15303 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL766024 0.72 APLNR (0.32) GRM4GRM8GRM2GRM3CYP2C19
SCHEMBL31084412 0.65 GRM4 (0.37) GRM4GRM8GRM2GRM3CYP2C19
SCHEMBL1509883 0.64 SLC6A4 (0.53) GRM4GRM8GRM2GRM3CYP2C19
SCHEMBL8842680 0.63
SCHEMBL11767513 0.61 GRM4 (0.33) GRM4GRM8GRM2CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL3142298 0.60 FFAR3 (0.44) CYP2C19
SCHEMBL3673980 0.60 FFAR3 (0.37)
Hydrochloric Acid SCHEMBL628949 0.60 FFAR3 (0.44) CYP2C19
SCHEMBL204371 0.60 FFAR3 (0.44) CYP2C19
SCHEMBL8586770 0.59 GRM4 (0.33) GRM4GRM8GRM2GRM3CYP2C19

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-20120048295-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-03-01 US disclosed