SCHEMBL4774735

SCHEMBL4774735

CC(C)C(CO)N1C[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.36
RECQL P46063 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
PPARG P37231 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
EPHX1 P07099 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC4 P56524 1/20 0.33
PIK3CD O00329 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4028150 0.84 KMT2A (0.37) MEN1KMT2ARORCRECQLCYP1A2
SCHEMBL4024300 0.84 KMT2A (0.39) MEN1KMT2ARORCRECQLCYP1A2
SCHEMBL4025606 0.84 KMT2A (0.39) MEN1KMT2ARORCRECQLCYP1A2
SCHEMBL4780182 0.84 KMT2A (0.39) MEN1KMT2ARORCRECQLCYP1A2
SCHEMBL4777699 0.76 MEN1 (0.45) MEN1KMT2ARORCRECQLCYP1A2
SCHEMBL4774167 0.76 RORC (0.43) MEN1KMT2ARORCRECQLCYP1A2
SCHEMBL4024451 0.76 RORC (0.43) MEN1KMT2ARORCRECQLCYP1A2
SCHEMBL4022028 0.76 KMT2A (0.61) MEN1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4024282 0.74 SLC18A3 (0.45) MEN1KMT2ARORCRECQLCYP1A2
SCHEMBL4026119 0.74 SLC18A3 (0.45) MEN1KMT2ARORCRECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed