SCHEMBL8777798

SCHEMBL8777798

CCCCCCCNC(=O)Nc1ccccc1OC(=O)c1cc(C(C)(C)C)c(OC(=O)NCCCCCCC)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.52
EPHX2 P34913 2/20 0.46
KMT2A Q03164 1/20 0.44
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
MGLL Q99685 3/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL8777918 0.90 P2RY1 (0.54) P2RY1EPHX2KMT2AEPHX1ALDH1A1
SCHEMBL8777810 0.87 EPHX2 (0.48) P2RY1EPHX2EPHX1ALDH1A1HTT
SCHEMBL8777969 0.74 EPHX2 (0.52) P2RY1EPHX2KMT2AEPHX1ALDH1A1
SCHEMBL4212390 0.74 EPHX1 (0.61) EPHX2KMT2AEPHX1ALDH1A1HTT
SCHEMBL6442708 0.72 EPHX1 (0.73) EPHX2EPHX1ALDH1A1HTTPOLB
SCHEMBL11876262 0.72 PTGS1 (0.50) KMT2AALDH1A1
SCHEMBL1021857 0.71 MGLL (0.44) MGLL
SCHEMBL8777887 0.70 EPHX2 (0.47) P2RY1EPHX2EPHX1ALDH1A1HTT
SCHEMBL11881050 0.69 SMN1; SMN2 (0.48) KMT2AALDH1A1MGLL
SCHEMBL4137732 0.69 EPHX2 (0.81) EPHX2KMT2AEPHX1ALDH1A1HTT

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
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed