SCHEMBL6909412

SCHEMBL6909412

CCC(OC(=O)C(C(=O)O)C(C)C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 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
SCHEMBL6909410 0.90 SMN1; SMN2 (0.31) MMP1MMP2MMP3MMP9MMP13
SCHEMBL335362 0.79 MAPT (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10804781 0.77 MAPT (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6903324 0.77 MMP1 (0.33) MMP1MMP2MMP3MMP9MMP13
SCHEMBL609003 0.76 TSHR (0.35) CA2MAPK1KCNH2
SCHEMBL20603118 0.73 TSHR (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL609002 0.73 TSHR (0.36) CA2
SCHEMBL1562034 0.71 ALDH1A1 (0.42) CA2
SCHEMBL7669873 0.71 KCNH2 (0.41) KCNH2
SCHEMBL12306251 0.71 TSHR (0.36)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918802-B2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2004-10-06 EP disclosed
EP-0918802-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2001-11-14 EP disclosed
US-6294497-B1 COMPRISING A TITANIUM COMPOUND, HAVING AT LEAST A TI-HALOGEN BOND AND AN ELECTRON DONER WHICH MAY BE A SUBSTITUTED MALONIC DIESTER, A 1,3-DIETHER OR A SILOXY COMPOUND SUPPORTED ON A MG HALIDE MONTELL TECHNOLOGY COMPANY BV (NL) 2001-09-25 US disclosed
EP-0918802-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-06-02 EP disclosed
WO-1998056830-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-12-17 WO disclosed