SCHEMBL4407249

SCHEMBL4407249

COC(=O)Oc1ccc(C2(c3ccc(OC(=O)Oc4ccc(-c5ccc(Oc6cccc(Oc7ccc(-c8ccc(OC)c(F)c8)cc7)c6)cc5)cc4F)cc3)CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.40
ACACA Q13085 3/20 0.37
HSD11B1 P28845 1/20 0.37
PTGES O14684 1/20 0.35
MTNR1B P49286 3/20 0.35
MTNR1A P48039 2/20 0.35
CTSK P43235 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TDP2 O95551 1/20 0.34
FFAR1 O14842 2/20 0.34
DHODH Q02127 2/20 0.34
FAAH O00519 1/20 0.34
JMJD7 P0C870 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PDE4B Q07343 2/20 0.34

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
SCHEMBL14682213 0.94 MEN1 (0.37) ACACBACACAHSD11B1PTGESMTNR1B
SCHEMBL4402849 0.88 ACACB (0.40) ACACBACACAMTNR1BMTNR1AFFAR1
SCHEMBL4404419 0.88 ACACB (0.42) ACACBACACAMTNR1BMTNR1AFFAR1
SCHEMBL4403583 0.87 ACACB (0.49) ACACBACACAMTNR1BMTNR1ACTSK
SCHEMBL4403587 0.82 ACACB (0.43) ACACBACACAPTGESMTNR1BMTNR1A
SCHEMBL14682200 0.82 KMT2A (0.40) ACACBACACAMTNR1BMTNR1AFFAR1
SCHEMBL4402846 0.77 ACACB (0.41) ACACBACACAPTGESMTNR1BMTNR1A
SCHEMBL15255312 0.76 ACACB (0.46) ACACBACACAPTGESMTNR1BMTNR1A
SCHEMBL14682210 0.76 ACACB (0.40) ACACBACACAPTGESMTNR1BMTNR1A
SCHEMBL15336467 0.73 ADORA3 (0.50) FAAH

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