SCHEMBL6231010

SCHEMBL6231010

CCCOC1=C(C(C)(C)C)C(=O)C(=O)C=C1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5589037 0.75 ATM (0.36) TSHRMAPK1SMN1; SMN2CA12CA1
SCHEMBL6233544 0.71 ALOX5 (0.43)
SCHEMBL5588449 0.70 KMT2A (0.37) TSHRMAPK1SMN1; SMN2CA12CA1
SCHEMBL5587376 0.67 ALDH1A1 (0.35) TSHRMAPK1CA12CA1CA2
SCHEMBL29208407 0.66 CYP2A6 (0.37) MAPK1SMN1; SMN2CA12CA1CA2
SCHEMBL6229354 0.66 ALOX5 (0.44)
SCHEMBL3069133 0.65 ALDH1A1 (0.33)
SCHEMBL5587549 0.63 PTPN1 (0.38) TSHRMAPK1SMN1; SMN2CA12CA1
SCHEMBL5186784 0.62 ALDH1A1 (0.36)
SCHEMBL5587794 0.61 ALDH1A1 (0.35) TSHRMAPK1SMN1; SMN2MEN1KMT2A

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