SCHEMBL6231795

SCHEMBL6231795

CCOc1cc(OC(=O)O)c(O)c(C(C)C)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL6233833 0.86 KMT2A (0.36) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6235777 0.85 THRA (0.38) THRB
SCHEMBL5590632 0.83 TSHR (0.47) TSHRHTTLMNACYP3A4GAA
SCHEMBL6231787 0.79 TSHR (0.41) TSHRHTTLMNAGAASMN1; SMN2
SCHEMBL6236994 0.78 TPMT (0.41) HTTLMNACYP3A4GAAALDH1A1
SCHEMBL5586603 0.77 THRB (0.32) TSHRTHRB
SCHEMBL6234046 0.77 TSHR (0.42) TSHRHTTLMNACYP3A4GAA
SCHEMBL5588814 0.77 TSHR (0.36) TSHRCYP3A4SMN1; SMN2GLAHSD17B10
SCHEMBL6252173 0.77 TSHR (0.42) TSHRHTTLMNACYP3A4GAA
SCHEMBL6231511 0.75 ALOX5 (0.41) TSHRHTTLMNACYP3A4GAA

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-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