SCHEMBL8377381

SCHEMBL8377381

CCCc1c(OCCN(C=O)OC(C)(C)C)noc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.36
PPARG P37231 13/20 0.36
PPARD Q03181 13/20 0.36
NR1H3 Q13133 2/20 0.33
NR1H2 P55055 1/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 2/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL8380145 0.94 FAAH (0.34) PPARAPPARGPPARDS1PR1S1PR3
SCHEMBL8376210 0.93 FAAH (0.35) PPARAPPARGPPARDS1PR1S1PR3
SCHEMBL8375714 0.92 FAAH (0.37) PPARAPPARGPPARDFAAHMGLL
SCHEMBL8376537 0.92 PPARG (0.30) PPARAPPARGPPARD
SCHEMBL8377319 0.90 FFAR4 (0.33) NR1H3
SCHEMBL8378845 0.87 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL8376860 0.87 KDM4E (0.30)
SCHEMBL8375765 0.86
SCHEMBL8375748 0.86
SCHEMBL8375523 0.85 HRH3 (0.33)

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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed