SCHEMBL5583968

SCHEMBL5583968

COOC(c1ccccc1)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 3/20 0.37
NR3C2 P08235 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL7448670 0.88 SMN1; SMN2 (0.42) CA1CA2CA7CA9CA12
SCHEMBL136228 0.85 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL6257499 0.85 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL3022976 0.85 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL7713128 0.85 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL30886777 0.81 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL3022980 0.80 MAPK1 (0.50) CA4MAPK1ALDH1A1TSHRKIF11
SCHEMBL2489422 0.78 KIF11 (0.64) CA1CA2CA7CA9CA12
SCHEMBL592170 0.78 TUBB4A (0.39) CA1CA2CA7CA9CA12
SCHEMBL2494552 0.78 KIF11 (0.42) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed
US-20050147984-A1 Interaction detection on several probe arrays CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2005-07-07 US disclosed
EP-1425417-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS Clondiag Chip Technologies GmbH (DE) 2004-06-09 EP disclosed
WO-2003018838-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2003-03-06 WO disclosed