SCHEMBL6231032

SCHEMBL6231032

CC(C)(C)c1cccc(OC(=O)O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TSHR P16473 1/20 0.39
BCHE P06276 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
NAMPT P43490 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL5588138 0.85 ATM (0.38) CA2GABRA1GABRB2TDP1ATM
SCHEMBL47808 0.83 TDP1 (0.65) TDP1ATMNPSR1ALDH1A1KDM4E
SCHEMBL31304747 0.83 TDP1 (0.65) TDP1ATMNPSR1ALDH1A1KDM4E
SCHEMBL247427 0.82 TDP1 (0.47) CA2GABRA1GABRB2TDP1ATM
SCHEMBL27952814 0.81 CA2 (0.50) CA2GABRA1GABRB2TDP1ATM
SCHEMBL7746372 0.81 CA2 (0.50) CA2GABRA1GABRB2TDP1ATM
SCHEMBL5590120 0.81 ATM (0.35) CA2GABRA1GABRB2TDP1ATM
SCHEMBL8013103 0.80 CA12 (0.41) CA2TDP1NPSR1ALOX12ALDH1A1
SCHEMBL27745677 0.80 CA2 (0.48) CA2GABRA1GABRB2TDP1ATM
SCHEMBL5587512 0.80 LMNA (0.37) CA2GABRA1GABRB2TDP1ATM

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-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed