SCHEMBL8858321

SCHEMBL8858321

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCCCCCCCCCCC(CC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.57
CA2 P00918 1/20 0.56
MAPK1 P28482 1/20 0.56
FAAH O00519 5/20 0.55
EPHX2 P34913 3/20 0.55
NAAA Q02083 1/20 0.54
DNM1 Q05193 2/20 0.53
NOD1 Q9Y239 1/20 0.52
SLC6A5 Q9Y345 2/20 0.50
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8858318 1.00 CASP2 (0.57) CASP2CA2MAPK1FAAHEPHX2
SCHEMBL3681401 1.00 CASP2 (0.57) CASP2CA2MAPK1FAAHEPHX2
SCHEMBL8858339 1.00 CASP2 (0.57) CASP2CA2MAPK1FAAHEPHX2
SCHEMBL15268228 0.98 CA2 (0.58) CASP2CA2MAPK1FAAHEPHX2
SCHEMBL8858320 0.94 CASP2 (0.61) CASP2FAAHEPHX2NAAADNM1
SCHEMBL6238522 0.92 CASP2 (0.59) CASP2FAAHEPHX2NAAADNM1
SCHEMBL8858327 0.92 CASP2 (0.59) CASP2FAAHEPHX2NAAADNM1
SCHEMBL6244977 0.92 EPHX2 (0.69) FAAHEPHX2SLC6A5KDM4E
SCHEMBL8858317 0.92 EPHX2 (0.69) FAAHEPHX2SLC6A5KDM4E
SCHEMBL6235574 0.92 EPHX2 (0.69) FAAHEPHX2SLC6A5KDM4E

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
EP-0792917-A1 Thermoplastically processable polyurethanes containing wax BAYER AG (DE) 1997-09-03 EP disclosed