SCHEMBL4774732

SCHEMBL4774732

C=C(OCC)c1ccc(C[C@@H](CCO)NC(=O)OCC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
CTRB1 P17538 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MME P08473 2/20 0.33
ACE P12821 1/20 0.33
EPHX2 P34913 3/20 0.33
PPARG P37231 2/20 0.33
ACACB O00763 2/20 0.32

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
SCHEMBL2617323 0.84 ATM (0.48) TSHRPPARG
SCHEMBL13162604 0.84 ATM (0.48) TSHRPPARG
SCHEMBL4773578 0.82 SMN1; SMN2 (0.38) LMNAHTTTSHRALOX15L3MBTL1
SCHEMBL14031564 0.80 RAB9A (0.36) MMEEPHX2PPARGACACB
SCHEMBL13643168 0.75 CYP4F2 (0.33) LMNAEPHX2PPARG
SCHEMBL2617333 0.74 ATM (0.51) TSHRPPARGACACB
SCHEMBL13644395 0.73 CENPE (0.61)
SCHEMBL4583554 0.71 CYP3A4 (0.61) LMNAHTTTSHRALOX15L3MBTL1
SCHEMBL4073213 0.71 CYP3A4 (0.61) LMNAHTTTSHRALOX15L3MBTL1
SCHEMBL13711195 0.70 ATM (0.43) LMNAHTTTSHRALOX15SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed