SCHEMBL4403576

SCHEMBL4403576

COC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(-c4ccc(Oc5cccc(Oc6ccc(-c7ccc(OC)c(C)c7)cc6)c5)cc4)cc3C)c(C)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.45
ACACA Q13085 4/20 0.42
MTNR1B P49286 4/20 0.40
MTNR1A P48039 2/20 0.40
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
PGR P06401 1/20 0.38
MCL1 Q07820 1/20 0.38
FFAR1 O14842 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
IDO1 P14902 1/20 0.37
RAF1 P04049 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
SCHEMBL4402851 0.96 ACACB (0.43) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL14682201 0.93 ACACB (0.42) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL4402845 0.92 ACACB (0.47) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL4402846 0.91 ACACB (0.41) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL14682199 0.89 MEN1 (0.43) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL14682215 0.84 ACACB (0.39) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL4403587 0.83 ACACB (0.43) ACACBACACAMTNR1BMTNR1APPARG
SCHEMBL15417138 0.82 TAS1R3 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL4402853 0.81 ACACB (0.54) ACACBACACAMTNR1BMTNR1APGR
SCHEMBL18712961 0.81 ACACB (0.47) ACACBACACAMTNR1BMTNR1APPARG

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