SCHEMBL4402845

SCHEMBL4402845

COC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(-c4ccc(Oc5cccc(Oc6ccc(-c7ccc(OC)cc7)cc6)c5)cc4)cc3)c(C)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.47
MTNR1B P49286 8/20 0.43
MTNR1A P48039 5/20 0.43
ACACA Q13085 4/20 0.42
PGR P06401 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
AR P10275 1/20 0.37

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 0.92 ACACB (0.43) ACACBMTNR1BMTNR1AACACAPGR
SCHEMBL4403576 0.92 ACACB (0.45) ACACBMTNR1BMTNR1AACACAPGR
SCHEMBL4402853 0.90 ACACB (0.54) ACACBMTNR1BMTNR1AACACAPGR
SCHEMBL4402846 0.87 ACACB (0.41) ACACBMTNR1BMTNR1AACACAPPARG
SCHEMBL13865066 0.87 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL14682199 0.85 MEN1 (0.43) ACACBMTNR1BMTNR1AACACAPOLB
SCHEMBL14682201 0.84 ACACB (0.42) ACACBMTNR1BMTNR1AACACAPGR
SCHEMBL14339228 0.84 L3MBTL1 (0.39) MTNR1BMTNR1AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14682214 0.83 BACE1 (0.50) ALDH1A1SMN1; SMN2KDM4EPPARDL3MBTL1
SCHEMBL4403587 0.83 ACACB (0.43) ACACBMTNR1BMTNR1AACACAPGR

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