SCHEMBL3204032

SCHEMBL3204032

C=C(C)C.C=CC(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
ELANE P08246 2/20 0.53
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP19A1 P11511 1/20 0.46

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
SCHEMBL30188344 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL16168302 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL9227026 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL17917072 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL26704 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL15778738 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL1185726 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL22902902 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL21838264 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A
SCHEMBL29516950 0.96 CYP2C19 (0.59) CYP2C19ELANEMAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678869-B2 Atom or group transfer radical polymerization CARNEGIE MELLON UNIVERSITY (US) 2010-03-16 US disclosed
US-20060258826-A1 Atom or group transfer radical polymerization CARNEGIE MELLON UNIVERSITY 2006-11-16 US disclosed
US-7125938-B2 Atom or group transfer radical polymerization CARNEGIE MELLON UNIVERSITY (US) 2006-10-24 US disclosed
US-20040204556-A1 Atom or group transfer radical polymerization MATYJASZEWSKI KRZYSZTOF (US) 2004-10-14 US disclosed
US-6541580-B1 Controlling living polymerization via e.g. polyphosphazene initiators CARNEGIE MELLON UNIVERSITY 2003-04-01 US disclosed
US-6512060-B1 Contacting at least one first molecule comprising one or more radically transferable atoms or groups, and at least one second molecule comprising one or more radically transferable atoms or groups with a system comprising: a transition metal, CARNEGIE MELLON UNIVERSITY 2003-01-28 US disclosed