SCHEMBL9751771

SCHEMBL9751771

NC(=O)C(=CCC(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.46
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
LDHA P00338 2/20 0.36
SRR Q9GZT4 1/20 0.36
RECQL P46063 1/20 0.31
LDHB P07195 1/20 0.30
TGFBR1 P36897 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
SCHEMBL9751768 1.00 CPB1 (0.46) CPB1KDM4ETSHRALDH1A1CYP2D6
SCHEMBL13541377 0.80 TSHR (0.54) CPB1KDM4ETSHRALDH1A1CYP2D6
SCHEMBL19407227 0.80 TSHR (0.54) CPB1KDM4ETSHRALDH1A1CYP2D6
SCHEMBL4887355 0.80 TSHR (0.54) CPB1KDM4ETSHRALDH1A1CYP2D6
SCHEMBL5282310 0.76 GRIK1 (0.46) CPB1KDM4ETSHRALOX15LDHA
SCHEMBL27361335 0.75 ALOX15 (0.41) CPB1KDM4ETSHRALDH1A1CYP2D6
SCHEMBL27325616 0.71
SCHEMBL2130171 0.70 HTT (0.34) ALOX15
SCHEMBL2130164 0.70 HTT (0.34) ALOX15
SCHEMBL7641786 0.69 ALOX15 (0.45) KDM4ETSHRALDH1A1CYP2D6ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435876-A1 COMPOSITIONS AND METHODS TO VARY COLOR DENSITY. ECOLAB INC (US) 1991-07-10 EP disclosed
WO-1990002790-A1 COMPOSITIONS AND METHODS TO VARY COLOR DENSITY ECOLAB INC. (US) 1990-03-22 WO disclosed
EP-0307564-A2 Methods that introduce variations in color density into dyed cellulosic fabrics ECOLAB INC. (US) 1989-03-22 EP disclosed