SCHEMBL4402846

SCHEMBL4402846

COC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(-c4ccc(Oc5cccc(Oc6ccc(-c7ccc(OC)c(F)c7)cc6)c5)cc4)cc3F)c(C)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
ACACA Q13085 2/20 0.39
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
MTNR1B P49286 2/20 0.37
MTNR1A P48039 1/20 0.37
PTGES O14684 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
HSD17B2 P37059 1/20 0.36
RAF1 P04049 1/20 0.36
FFAR1 O14842 2/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL14682215 0.94 ACACB (0.39) ACACBACACAPPARGPPARDPPARA
SCHEMBL4403587 0.92 ACACB (0.43) ACACBACACAPPARGPPARDPPARA
SCHEMBL4403576 0.91 ACACB (0.45) ACACBACACAPPARGPPARDPPARA
SCHEMBL4402851 0.87 ACACB (0.43) ACACBACACAPPARGPPARDPPARA
SCHEMBL4402845 0.87 ACACB (0.47) ACACBACACAPPARGPPARDPPARA
SCHEMBL14682210 0.86 ACACB (0.40) ACACBACACAPPARGPPARDPPARA
SCHEMBL14682201 0.84 ACACB (0.42) ACACBACACAPPARGPPARDPPARA
SCHEMBL14682199 0.81 MEN1 (0.43) ACACBACACAPPARGPPARDPPARA
SCHEMBL15255312 0.78 ACACB (0.46) ACACBACACAPPARDMTNR1BMTNR1A
SCHEMBL4402853 0.77 ACACB (0.54) ACACBACACAMTNR1BMTNR1AFFAR1

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