SCHEMBL573988

SCHEMBL573988

C[C@H](O)[C@H](OCCc1ccc(F)cc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
TAAR1 Q96RJ0 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OGA O60502 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL574796 0.74 TRPA1 (0.41) ELOVL1KMT2ALMNATRPA1POLB
SCHEMBL1245973 0.74 ELOVL1 (0.41) ELOVL1PTGS1PTGS2TAAR1
SCHEMBL574575 0.71 ADRB2 (0.35) ELOVL1KMT2APTGS1PTGS2ADRB2
SCHEMBL574831 0.71 ADRB2 (0.35) ELOVL1KMT2APTGS1PTGS2ADRB2
SCHEMBL5981068 0.70 TAAR1 (0.42) ELOVL1KMT2ALMNATRPA1POLB
SCHEMBL19120785 0.69 KMT2A (0.50) ELOVL1KMT2ALMNATRPA1POLB
SCHEMBL2512054 0.69 DNM1 (0.35)
SCHEMBL8653593 0.67 TAAR1 (0.47) ELOVL1KMT2ALMNATRPA1POLB
SCHEMBL17986293 0.67 TAAR1 (0.42) ELOVL1KMT2ALMNATRPA1POLB
SCHEMBL27378129 0.67 TAAR1 (0.42) ELOVL1KMT2ALMNATRPA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed