SCHEMBL14148643

SCHEMBL14148643

CCCCCC(CC)P(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.38
CNR2 P34972 1/20 0.37
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LIPG Q9Y5X9 1/20 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
SCHEMBL2313796 0.86 GPR84 (0.37) CES2CES1PCSK9SIGMAR1
SCHEMBL27262505 0.86 CSNK1E (0.51) CSNK1ECNR2MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL21354368 0.86 CSNK1E (0.48) CSNK1ECNR2SIGMAR1
SCHEMBL3816521 0.85 CSNK1E (0.38) CSNK1ECNR2PRSS1PRSS2PRSS3
SCHEMBL11245171 0.83 CSNK1E (0.38) CSNK1ECNR2PRSS1PRSS2PRSS3
SCHEMBL11242337 0.83 CSNK1E (0.38) CSNK1ECNR2PRSS1PRSS2PRSS3
SCHEMBL11240071 0.83 CSNK1E (0.38) CSNK1ECNR2PRSS1PRSS2PRSS3
SCHEMBL11237057 0.83 CSNK1E (0.38) CSNK1ECNR2PRSS1PRSS2PRSS3
SCHEMBL11249146 0.83 CSNK1E (0.38) CSNK1ECNR2PRSS1PRSS2PRSS3
SCHEMBL11233661 0.83 CSNK1E (0.38) CSNK1ECNR2PRSS1PRSS2PRSS3

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-2008087031-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2008-07-24 WO disclosed