SCHEMBL17624930

SCHEMBL17624930

CCCC/C=C\C(CCC)NC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.36
CYP2C9 P11712 6/20 0.36
CYP2C19 P33261 6/20 0.36
CYP3A4 P08684 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2D6 P10635 5/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.33
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33
MAPK1 P28482 3/20 0.33
CETP P11597 3/20 0.33
GMNN O75496 2/20 0.33
GLA P06280 2/20 0.33
POLB P06746 2/20 0.33
THRB P10828 2/20 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
SCHEMBL23795629 0.80 MEN1 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL18410832 0.75 MEN1 (0.37) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL20376406 0.74 MEN1 (0.37) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL15592139 0.73 TAS1R3 (0.34)
SCHEMBL20843301 0.73 ADH1B (0.37) TSHRLMNAMAPTTHRB
SCHEMBL2008705 0.73 MEN1 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL2008706 0.73 MEN1 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL29010864 0.73 MEN1 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL2010562 0.71 MEN1 (0.38) CYP1A2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL2010561 0.71 MEN1 (0.38) CYP1A2CYP2C9CYP2C19CYP3A4TSHR

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
WO-2016044585-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed