SCHEMBL4773478

SCHEMBL4773478

CC(C)(C)[C@](CO)(Cc1ccc(Br)cc1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MME P08473 1/20 0.37
FPR2 P25090 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP8 P22894 1/20 0.35
BLM P54132 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL4073210 0.86 CYP3A4 (0.46) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL1273081 0.86 CYP3A4 (0.46) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL4583741 0.82 MMP1 (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4594149 0.82 RAB9A (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL16041240 0.79 ALDH1A1 (0.49) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL3722221 0.78 RIPK1 (0.40) LMNAPOLBALDH1A1CYP3A4
SCHEMBL3725498 0.77 KDM4E (0.51) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL3958834 0.77 OPRM1 (0.41) MEN1KMT2ANPC1RAB9AMME
SCHEMBL2882036 0.75 PPARA (0.43) NPC1RAB9AL3MBTL1MMP8BLM
SCHEMBL4379160 0.74 FDPS (0.46) LMNAALDH1A1CYP3A4CYP2C9CYP2C19

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