SCHEMBL5698127

SCHEMBL5698127

CCCCCCCCCCC(O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.53
CNR2 P34972 3/20 0.44
KCNH2 Q12809 1/20 0.41
BCHE P06276 1/20 0.40
DNM1 Q05193 1/20 0.40
EPHX2 P34913 2/20 0.40
CETP P11597 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7050937 0.86 TSHR (0.48) KCNH2TP53KMT2A
SCHEMBL9171988 0.84 CSNK1E (0.49) CSNK1ECNR2KCNH2DNM1EPHX2
SCHEMBL23718107 0.83 CSNK1E (0.47) CSNK1ECNR2KCNH2DNM1EPHX2
SCHEMBL5270897 0.83 CSNK1E (0.56) CSNK1ECNR2KCNH2BCHEDNM1
SCHEMBL5273030 0.83 CSNK1E (0.56) CSNK1ECNR2KCNH2BCHEDNM1
SCHEMBL5270939 0.83 CSNK1E (0.56) CSNK1ECNR2KCNH2BCHEDNM1
SCHEMBL5270921 0.83 CSNK1E (0.56) CSNK1ECNR2KCNH2BCHEDNM1
SCHEMBL5271217 0.83 CSNK1E (0.56) CSNK1ECNR2KCNH2BCHEDNM1
SCHEMBL5275497 0.83 CSNK1E (0.56) CSNK1ECNR2KCNH2BCHEDNM1
SCHEMBL5271372 0.83 CSNK1E (0.56) CSNK1ECNR2KCNH2BCHEDNM1

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-1670807-A1 FLUORESCENT LABELED SPHINGOSINES Novartis AG (CH) 2006-06-21 EP disclosed
WO-2005030780-A1 FLUORESCENT LABELED SPHINGOSINES NOVARTIS AG (CH) 2005-04-07 WO disclosed