SCHEMBL8608665

SCHEMBL8608665

CCCCCCCCON1C(C)(C)CCC(C(CC(=O)O)(C(=O)O)C2CCC(C)(C)N(OCCCCCCCC)C2(C)C)C1(C)C.CCCCCCCCON1C(C)(C)CCC(C(CCCCCCCC(=O)O)(C(=O)O)C2CCC(C)(C)N(OCCCCCCCC)C2(C)C)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.33
PPARD Q03181 8/20 0.33
PPARA Q07869 8/20 0.33
GPR84 Q9NQS5 7/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
PTPN1 P18031 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX15 P16050 1/20 0.33
PDE4A P27815 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3A Q14432 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL38826 0.96 PPARG (0.35) PPARGPPARDPPARAGPR84HDAC11
SCHEMBL39405 0.92 S1PR4 (0.31)
SCHEMBL6465928 0.87 PPARG (0.34) PPARGPPARDPPARA
SCHEMBL14973487 0.86 NAAA (0.36)
SCHEMBL8581097 0.78 PPARG (0.34) PPARGPPARDPPARAGPR84HDAC11
SCHEMBL994337 0.77 PPARG (0.39) PPARGPPARDPPARAGPR84HDAC11
SCHEMBL39175 0.77 PPARG (0.39) PPARGPPARDPPARAGPR84HDAC11
SCHEMBL995960 0.77 PPARG (0.39) PPARGPPARDPPARAGPR84HDAC11
SCHEMBL992967 0.77 PPARG (0.39) PPARGPPARDPPARAGPR84HDAC11
SCHEMBL995729 0.77 PPARG (0.39) PPARGPPARDPPARAGPR84HDAC11

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-5814692-A PROTECTING POLYMERS AND LUBRICANTS AGAINST THERMAL, OXIDATIVE OR LIGHT-INDUCED DEGRADATION CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-29 US disclosed
EP-0530139-B1 Compositions containing 6-numbered N-heterocyclic compounds substituted with phosphonate groups CIBA GEIGY AG (CH) 1996-11-27 EP disclosed