SCHEMBL7101570

SCHEMBL7101570

CC(C)(C)CC(=O)Oc1nccs1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA2A P29274 10/20 0.39
ADORA1 P30542 6/20 0.38
ADORA2B P29275 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2041342 0.82 PKM (0.42) PKMMEN1KMT2AHTTHIF1A
Hydrochloric Acid SCHEMBL27680690 0.81 PKM (0.41) PKMMEN1KMT2AHTTHIF1A
SCHEMBL27521615 0.80 ALDH1A1 (0.40) PKMMEN1KMT2AHTTHIF1A
SCHEMBL6624655 0.79 L3MBTL1 (0.41) PKMMEN1KMT2AHTTHIF1A
SCHEMBL1219078 0.77 PKM (0.38) PKMMEN1KMT2AHTTHIF1A
SCHEMBL11688470 0.77 PKM (0.38) PKMMEN1KMT2AHTTHIF1A
SCHEMBL4755861 0.77 ALDH1A1 (0.38) PKMMEN1KMT2AHTTHIF1A
SCHEMBL27846260 0.75 PKM (0.51) PKMMEN1KMT2AHTTHIF1A
SCHEMBL2155976 0.75 PKM (0.36) PKMMEN1KMT2AHTTHIF1A
SCHEMBL28111989 0.75 LMNA (0.36) PKMMEN1KMT2AHTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed