SCHEMBL7703875

SCHEMBL7703875

CCCCC(C#N)(CC(C)C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL7709450 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL2410161 0.87 MMP8 (0.49) MMP8MEN1KMT2AALDH1A1TSHR
SCHEMBL7707030 0.81 CTSS (0.33) TSHR
SCHEMBL2638021 0.80 MMP8 (0.43) MMP8MEN1KMT2AALDH1A1TSHR
SCHEMBL13632207 0.79 MMP8 (0.42) MMP8MEN1KMT2AALDH1A1TSHR
SCHEMBL28433678 0.78 MEN1 (0.49) MMP8MEN1KMT2AALDH1A1TSHR
SCHEMBL7722774 0.77 MEN1 (0.52) MMP8MEN1KMT2AALDH1A1TSHR
SCHEMBL29000578 0.77 PAM (0.44) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL29000582 0.77 GPR84 (0.44) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL28512089 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRMAPT

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-0938509-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2002-11-20 EP claimed
US-6143684-A FOR STEREOSPECIFIC POLYMERIZATION OF OLEFINS SUCH AS PROPYLENE MONTELL TECHNOLOGY COMPANY B.V. (NL) 2000-11-07 US claimed
EP-0938509-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2002-11-20 EP disclosed
US-6239236-B1 COMPRISING TI, MG, HALOGEN AND AN ELECTRON DONOR COMPOUND SELECTED FROM CYANOESTERS MONTELL TECHNOLOGY COMPANY B.V. (NL) 2001-05-29 US disclosed
US-6143684-A FOR STEREOSPECIFIC POLYMERIZATION OF OLEFINS SUCH AS PROPYLENE MONTELL TECHNOLOGY COMPANY B.V. (NL) 2000-11-07 US disclosed