SCHEMBL8807258

SCHEMBL8807258

CC(C)(C)c1cc(CCc2ccccc2NC(=O)NC2CCN(Cc3ccc(F)cc3F)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAOB P27338 5/20 0.53
MAOA P21397 4/20 0.53
CCR3 P51677 8/20 0.51
ACHE P22303 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.47
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL8806310 0.93 KDM4E (0.56) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8803570 0.91 MAOB (0.60) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8805525 0.89 MAOB (0.58) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8803826 0.89 MAOB (0.57) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8805081 0.89 MAOB (0.64) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8805921 0.88 MAOB (0.56) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8805057 0.87 MAOB (0.69) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8804647 0.87 MAOB (0.64) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8803597 0.87 CCR3 (0.53) KDM4ETDP1MAOBMAOACCR3
SCHEMBL8805138 0.86 MAOB (0.51) KDM4ETDP1MAOBMAOACCR3

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-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed