SCHEMBL14219487

SCHEMBL14219487

CCOc1c(F)cc(CCc2ccc(C3CCC(C[C@H](C)c4ccccc4)CC3)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
CYP2D6 P10635 1/20 0.32
IDO1 P14902 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DGAT1 O75907 1/20 0.30
POLB P06746 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CCR1 P32246 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
SCHEMBL14219486 0.89 KDM1A (0.39) PTGDR2MEN1KMT2APOLB
SCHEMBL14219480 0.87 IDO1 (0.34) FFAR4IDO1SPHK1DGAT1POLB
SCHEMBL14219959 0.87 FFAR4 (0.36) FFAR4PTGDR2MEN1KMT2AL3MBTL1
SCHEMBL14219925 0.87 FFAR4 (0.36) FFAR4PTGDR2MEN1KMT2AL3MBTL1
SCHEMBL14219478 0.85 SPHK1 (0.34) IDO1SPHK1POLBCCR1
SCHEMBL14219337 0.85 PDE5A (0.34) IDO1SMN1; SMN2
SCHEMBL14219594 0.85 PDE5A (0.34) IDO1SMN1; SMN2
SCHEMBL14220032 0.85 PDE5A (0.32) IDO1SMN1; SMN2
SCHEMBL14219999 0.85 KDM1A (0.35) IDO1POLB
SCHEMBL14219496 0.85 KDM1A (0.35) IDO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed