SCHEMBL1424841

SCHEMBL1424841

CC1(C)CC(=O)C2(C#C2)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 12/20 0.35
HTT P42858 2/20 0.35
MAOA P21397 1/20 0.34
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.32
CYP2C19 P33261 1/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL10588951 0.73 MAPT (0.42) NPSR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL2859010 0.69 ALDH1A1 (0.39) NPSR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL3997502 0.69 ALDH1A1 (0.39) NPSR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL7915561 0.69 NPSR1 (0.39) NPSR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL123127 0.67 ALDH1A1 (0.47) MAPTALDH1A1HTTMAOAKDM4E
SCHEMBL9336430 0.67 ALDH1A1 (0.47) MAPTALDH1A1HTTMAOAKDM4E
SCHEMBL2324941 0.65
SCHEMBL2691041 0.65
SCHEMBL6668973 0.65 ALDH1A1 (0.37) NPSR1L3MBTL1MAPTALDH1A1HTT
Water SCHEMBL4753900 0.65 ALDH1A1 (0.45) MAPTALDH1A1HTTMAOAKDM4E

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-1478623-B1 NOVEL COUPLING AGENTS, THE ACTIVE INTERMEDIATES AND THE CONJUGATES THEREOF AND THE USE OF SAID CONJUGATES IN DIAGNOSTIC METHODS BIOMERIEUX SA (FR) 2011-03-23 EP disclosed
EP-1478623-A1 NOVEL COUPLING AGENTS, THE ACTIVE INTERMEDIATES AND THE CONJUGATES THEREOF AND THE USE OF SAID CONJUGATES IN DIAGNOSTIC METHODS BIOMERIEUX (FR) 2004-11-24 EP disclosed
WO-2003072546-A1 NOVEL COUPLING AGENTS, THE ACTIVE INTERMEDIATES AND THE CONJUGATES THEREOF AND THE USE OF SAID CONJUGATES IN DIAGNOSTIC METHODS bioMérieux (FR) 2003-09-04 WO disclosed