SCHEMBL2727705

SCHEMBL2727705

CCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)OCCNC(=O)CCCCCCCCCCC)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
FAAH O00519 4/20 0.46
CASP2 P42575 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DNM1 Q05193 2/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
ENPP2 Q13822 1/20 0.43
NAAA Q02083 1/20 0.43
DGKA P23743 1/20 0.43
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL2727567 0.99 RECQL (0.45) RECQLFAAHCASP2L3MBTL1DNM1
SCHEMBL2727698 0.90 EPHX2 (0.48) FAAHCASP2L3MBTL1DNM1LPAR1
SCHEMBL2727565 0.89 FAAH (0.43) FAAHCASP2L3MBTL1DNM1LPAR1
SCHEMBL3697473 0.89 EPHX2 (0.47) FAAHCASP2DNM1LPAR1LPAR2
SCHEMBL27943740 0.88 EPHX2 (0.44) FAAHCASP2L3MBTL1DNM1LPAR1
SCHEMBL3697476 0.88 EPHX2 (0.44) FAAHCASP2L3MBTL1DNM1LPAR1
SCHEMBL28040905 0.84 ALDH1A1 (0.40) RECQLFAAHLPAR1LPAR2ENPP2
SCHEMBL837586 0.83 GLP1R (0.48) FAAHCASP2LPAR1LPAR2ENPP2
SCHEMBL837285 0.83 GLP1R (0.48) FAAHCASP2LPAR1LPAR2ENPP2
SCHEMBL1420021 0.82 RECQL (0.56) RECQLFAAHL3MBTL1NAAADGKA

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-2632427-A1 OPHTHALMIC COMPOSITION Omnivision GmbH (DE) 2013-09-04 EP disclosed
WO-2012055571-A1 OPHTHALMIC COMPOSITION OMNIVISION GMBH (DE) 2012-05-03 WO disclosed