SCHEMBL8375714

SCHEMBL8375714

CCCCCCc1c(OCCN(C=O)OC(C)(C)C)noc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
ABCB1 P08183 5/20 0.34
ABCC1 P33527 4/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
PLA2G2A P14555 3/20 0.31
PLA2G10 O15496 2/20 0.31
PLA2G1B P04054 2/20 0.31
PLA2G5 P39877 2/20 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
SCHEMBL8376210 0.99 FAAH (0.35) FAAHMGLLABCB1ABCC1PPARG
SCHEMBL8380145 0.96 FAAH (0.34) FAAHMGLLABCB1ABCC1PPARG
SCHEMBL8377381 0.92 PPARA (0.36) FAAHMGLLPPARGPPARAPPARD
SCHEMBL8376537 0.88 PPARG (0.30) PPARGPPARAPPARD
SCHEMBL8375523 0.84 HRH3 (0.33)
SCHEMBL8378845 0.83 S1PR1 (0.32)
SCHEMBL8375748 0.83
SCHEMBL8375765 0.83
SCHEMBL8377362 0.81 MEN1 (0.39)
SCHEMBL8380040 0.81 MEN1 (0.32)

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