SCHEMBL5680819

SCHEMBL5680819

CC[Si](CC)(CC)Cc1cc(O)c(O)c(C(=O)O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
PTPN11 Q06124 2/20 0.37
LDHA P00338 5/20 0.36
LDHB P07195 5/20 0.36
CYP3A4 P08684 2/20 0.35
ACHE P22303 1/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
MAPT P10636 2/20 0.34
PRKCE Q02156 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CA3 P07451 1/20 0.32
SELL P14151 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5587863 0.83 PTPN1 (0.43) PTPN1PTPN11LDHALDHBCYP3A4
SCHEMBL5921037 0.80 BID (0.44) PTPN1DAGLABCL2L1BIDMCL1
SCHEMBL5678031 0.79 PTPN1 (0.56) PTPN1PTPN11LDHALDHBCYP3A4
SCHEMBL5590530 0.76 BID (0.48) PTPN1PTPN11MAPTKDM4EHSD17B10
SCHEMBL5193720 0.75 BID (0.54) PTPN1MAPTKDM4EHSD17B10DAGLA
SCHEMBL5588929 0.70 CYP3A4 (0.52) LDHALDHBCYP3A4ACHEGLRA3
SCHEMBL31058734 0.69 PTPN1 (0.43) PTPN1PTPN11LDHALDHBCYP3A4
SCHEMBL5589785 0.69 PTPN1 (0.43) PTPN1PTPN11LDHALDHBCYP3A4
SCHEMBL27534718 0.69 LDHA (0.44) LDHALDHBCYP3A4ACHEGLRA3
SCHEMBL5586645 0.67 BID (0.48) PTPN1PTPN11LDHALDHBHPGD

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-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 WO disclosed