SCHEMBL6891210

SCHEMBL6891210

C=C(O)C(=O)N(CC)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
CA2 P00918 3/20 0.43
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.34
ALDH2 P05091 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR1A P08908 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 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
SCHEMBL1738956 0.85 LMNA (0.40) CA12CA9CA2TSHRCA1
SCHEMBL375752 0.82 CA12 (0.43) CA12CA9CA2TSHRMAPK1
SCHEMBL9456154 0.81 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL9456256 0.79 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL1931283 0.78 CA12 (0.40) CA12CA9CA2TSHRMAPK1
SCHEMBL19864387 0.78 CA12 (0.40) CA12CA9CA2TSHRMAPK1
SCHEMBL331800 0.75
SCHEMBL22010133 0.75 CA12 (0.38) CA12CA9CA2TSHRMAPK1
SCHEMBL498284 0.73
Hydrochloric Acid SCHEMBL10822894 0.73 CA12 (0.48) CA12CA9CA2TSHRMAPK1

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-0906015-A4 LIVER RETENTION CLEARING AGENTS NEORX CORP (US) 2004-05-12 EP disclosed
EP-0906015-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1999-04-07 EP disclosed
WO-1997046099-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1997-12-11 WO disclosed