SCHEMBL4606603

SCHEMBL4606603

CC(O)CNC(CO)CO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
CNR1 P21554 1/20 0.40
ADRA1A P35348 1/20 0.40
ABCC3 O15438 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.35
ALDH1A1 P00352 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
SCHEMBL25968485 1.00 TDP1 (0.47) TDP1KDM4ELMNACNR1ADRA1A
SCHEMBL25968487 1.00 TDP1 (0.47) TDP1KDM4ELMNACNR1ADRA1A
SCHEMBL18707208 0.84 TSHR (0.41) TDP1KDM4ELMNACNR1ADRA1A
SCHEMBL18707206 0.84 TSHR (0.41) TDP1KDM4ELMNACNR1ADRA1A
SCHEMBL19343054 0.80 TSHR (0.44) TDP1KDM4ELMNACNR1ADRA1A
SCHEMBL25815923 0.79 KDM4E (0.37) TDP1KDM4ELMNACNR1ADRA1A
SCHEMBL7207274 0.78 TSHR (0.47) TDP1KDM4ELMNACNR1ADRA1A
SCHEMBL2945937 0.78
SCHEMBL2945934 0.78
SCHEMBL9326329 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441843-B1 BUFFER-EFFECT DISPERSANTS FOR PAINT BASES AND COMPOSITIONS COATEX SAS (FR) 2008-01-02 EP claimed
EP-1441843-A2 BUFFER-EFFECT DISPERSANTS FOR PAINT BASES AND COMPOSITIONS COATEX S.A.S. (FR) 2004-08-04 EP claimed
WO-2003024581-A2 BUFFER-EFFECT DISPERSANTS FOR PAINT BASES AND COMPOSITIONS COATEX S.A.S. (FR) 2003-03-27 WO claimed
EP-1441843-B1 BUFFER-EFFECT DISPERSANTS FOR PAINT BASES AND COMPOSITIONS COATEX SAS (FR) 2008-01-02 EP disclosed
EP-1441843-A2 BUFFER-EFFECT DISPERSANTS FOR PAINT BASES AND COMPOSITIONS COATEX S.A.S. (FR) 2004-08-04 EP disclosed
WO-2003024581-A2 BUFFER-EFFECT DISPERSANTS FOR PAINT BASES AND COMPOSITIONS COATEX S.A.S. (FR) 2003-03-27 WO disclosed