SCHEMBL6234046

SCHEMBL6234046

CCCc1c(O)c(OC(=O)O)cc(OCC)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 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
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.34
ALOX5 P09917 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
SCHEMBL6231511 0.92 ALOX5 (0.41) TSHRHTTLMNACYP3A4GAA
SCHEMBL6232980 0.87 CYSLTR2 (0.40) LMNAMEN1KMT2A
SCHEMBL6233436 0.86 CYSLTR2 (0.42) TSHRLMNAMEN1KMT2AHSD17B10
SCHEMBL5590632 0.83 TSHR (0.47) TSHRHTTLMNACYP3A4GAA
SCHEMBL5587238 0.82 HMGCR (0.36) TSHRLDHALDHBTHRB
SCHEMBL6233287 0.81 ALOX5 (0.50) CYP3A4MEN1KMT2AHSD17B10LDHA
SCHEMBL6233270 0.81 CYP1A2 (0.44) TSHRLMNAMEN1KMT2AHSD17B10
SCHEMBL6233139 0.81 ALOX5 (0.41) LMNATHRBALOX5
SCHEMBL6233682 0.80 ALOX5 (0.40) MEN1KMT2ATHRBALOX5
SCHEMBL6234043 0.79 ALOX5 (0.49) TSHRHTTLMNAGAASMN1; SMN2

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