SCHEMBL10280974

SCHEMBL10280974

C=C1CC(=O)CC(C)(C)P1c1ccccc1-n1cccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 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
SCHEMBL365324 0.79 ALDH1A1 (0.37) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL18922613 0.76 NPC1 (0.33) ALDH1A1LMNA
SCHEMBL10280972 0.73
SCHEMBL18922437 0.72 NSD2 (0.33) ALDH1A1L3MBTL1LMNA
SCHEMBL18922478 0.70 CA1 (0.37) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL18922610 0.70 NSD2 (0.40) ALDH1A1L3MBTL1LMNA
SCHEMBL10280892 0.69 ABL1 (0.40) MEN1KMT2A
SCHEMBL410812 0.66 MAPK1 (0.41) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL18922603 0.65 CA1 (0.35) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL407632 0.61 MAPK1 (0.33)

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
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed