SCHEMBL4402849

SCHEMBL4402849

COC(=O)Oc1ccc(C2(c3ccc(OC(=O)Oc4ccc(-c5ccc(Oc6cccc(Oc7ccc(-c8ccc(OC)c(C)c8)cc7)c6)cc5)cc4C)cc3)CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.40
PPARA Q07869 2/20 0.38
ACACA Q13085 5/20 0.37
MTNR1B P49286 3/20 0.36
MTNR1A P48039 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.35
MCL1 Q07820 1/20 0.34
FFAR1 O14842 3/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
TSHR P16473 1/20 0.33
CASP1 P29466 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
SCHEMBL14682200 0.94 KMT2A (0.40) ACACBPPARAACACAMTNR1BMTNR1A
SCHEMBL4404419 0.88 ACACB (0.42) ACACBACACAMTNR1BMTNR1AMEN1
SCHEMBL4407249 0.88 ACACB (0.40) ACACBACACAMTNR1BMTNR1AFAAH
SCHEMBL4403583 0.88 ACACB (0.49) ACACBACACAMTNR1BMTNR1AFAAH
SCHEMBL14682198 0.85 PPARA (0.40) PPARAMEN1KMT2ALMNAL3MBTL1
SCHEMBL18353778 0.83 KMT2A (0.39) PPARAMEN1KMT2ALMNAL3MBTL1
SCHEMBL14339223 0.83 PPARA (0.39) PPARAMEN1KMT2AFAAHLMNA
SCHEMBL14682213 0.82 MEN1 (0.37) ACACBPPARAACACAMTNR1BMTNR1A
SCHEMBL4402851 0.82 ACACB (0.43) ACACBPPARAACACAMTNR1BMTNR1A
SCHEMBL18293651 0.81 BACE1 (0.44) PPARAMEN1KMT2ALMNAL3MBTL1

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-8535859-B2 Photoconductors containing biaryl polycarbonate charge transport layers XEROX CORPORATION (US) 2013-09-17 US disclosed
US-20120115077-A1 PHOTOCONDUCTORS CONTAINING BIARYL POLYCARBONATE CHARGE TRANSPORT LAYERS XEROX CORPORATION (US) 2012-05-10 US disclosed