SCHEMBL4403587

SCHEMBL4403587

COC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(-c4ccc(Oc5cccc(Oc6ccc(-c7ccc(OC)c(F)c7)cc6)c5)cc4)cc3F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
ACACA Q13085 2/20 0.40
MTNR1B P49286 2/20 0.38
MTNR1A P48039 1/20 0.38
PTGES O14684 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HSD17B2 P37059 1/20 0.38
FFAR1 O14842 2/20 0.37
RAF1 P04049 1/20 0.37
MCL1 Q07820 1/20 0.36
PGR P06401 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL14682210 0.93 ACACB (0.40) ACACBACACAMTNR1BMTNR1APTGES
SCHEMBL4402846 0.92 ACACB (0.41) ACACBACACAMTNR1BMTNR1APTGES
SCHEMBL4402851 0.87 ACACB (0.43) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL14682215 0.86 ACACB (0.39) ACACBACACAMTNR1BMTNR1APTGES
SCHEMBL4402853 0.85 ACACB (0.54) ACACBACACAMTNR1BMTNR1AFFAR1
SCHEMBL4402845 0.83 ACACB (0.47) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL4403576 0.83 ACACB (0.45) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL4407249 0.82 ACACB (0.40) ACACBACACAMTNR1BMTNR1APTGES
SCHEMBL14682199 0.80 MEN1 (0.43) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL15255312 0.80 ACACB (0.46) ACACBACACAMTNR1BMTNR1APTGES

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