SCHEMBL165895

SCHEMBL165895

CCCCCCC(CCCCC)[N]C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
NAAA Q02083 1/20 0.47
PRSS1 P07477 3/20 0.45
CTSG P08311 2/20 0.45
CTRB1 P17538 2/20 0.45
CMA1 P23946 2/20 0.45
CNR2 P34972 4/20 0.44
CNR1 P21554 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL6602489 0.76 POLB (0.46) CES2CES1NAAAPRSS1CTSG
SCHEMBL29117316 0.75 MMP2 (0.63) CES2CES1NAAAPRSS1CTSG
SCHEMBL10456426 0.75 CES2 (0.53) CES2CES1NAAAPRSS1CTSG
SCHEMBL27836181 0.75 CES2 (0.53) CES2CES1NAAAPRSS1CTSG
SCHEMBL8009212 0.75 CES2 (0.53) CES2CES1NAAACNR2CNR1
SCHEMBL30979218 0.75 CES2 (0.53) CES2CES1NAAAPRSS1CTSG
SCHEMBL11133514 0.75 CES2 (0.53) CES2CES1NAAACNR2CNR1
SCHEMBL195960 0.75 CES2 (0.53) CES2CES1NAAACNR2CNR1
SCHEMBL6383659 0.75 NPC1 (0.43) CES2CES1PRSS1CTSGCTRB1
SCHEMBL3244148 0.75 CES2 (0.53) CES2CES1NAAACNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030553-A2 RECIRCULATING FLUID PRINTING SYSTEM AND METHOD EASTMAN KODAK COMPANY (US) 2012-03-08 WO disclosed
EP-2011178-A2 ELECTROLUMINESCENT DEVICES INCLUDING ORGANIC ELECTRON INJECTION LAYER EASTMAN KODAK COMPANY (US) 2009-01-07 EP disclosed
WO-2007127063-A2 ELECTROLUMINESCENT DEVICES INCLUDING ORGANIC EIL LAYER EASTMAN KODAK COMPANY (US) 2007-11-08 WO disclosed