SCHEMBL5583967

SCHEMBL5583967

COc1ccccc1C(c1ccccc1O)c1ccccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
TP53 P04637 2/20 0.61
TSHR P16473 2/20 0.61
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL4660269 0.89 CA1 (0.53) CA1CA2TP53TSHRKDM4E
SCHEMBL2066662 0.87 CA1 (0.63) CA1CA2TP53TSHRKDM4E
SCHEMBL78917 0.82 GABRA1 (0.62) CA1CA2TSHRKDM4EMAPT
SCHEMBL29407501 0.82 GABRA1 (0.62) CA1CA2TSHRKDM4EMAPT
SCHEMBL7448667 0.82 MAPT (0.57) CA1CA2TP53TSHRKDM4E
SCHEMBL26735491 0.80 BCHE (0.51) CA1CA2TP53TSHRKDM4E
SCHEMBL4061536 0.79 GABRA1 (0.59) CA1CA2TSHRKDM4EMAPT
SCHEMBL31319923 0.79 GABRA1 (0.41) CA1CA2TP53TSHRKDM4E
SCHEMBL20631317 0.77 CA1 (0.53) CA1CA2TP53TSHRKDM4E
SCHEMBL20630752 0.77 CA1 (0.53) CA1CA2TP53TSHRKDM4E

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-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP 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