SCHEMBL4404419

SCHEMBL4404419

COC(=O)Oc1ccc(C2(c3ccc(OC(=O)Oc4ccc(-c5ccc(Oc6cccc(Oc7ccc(-c8ccc(OC)c(Cl)c8)cc7)c6)cc5)cc4Cl)cc3)CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.42
ACACA Q13085 6/20 0.39
POLB P06746 1/20 0.37
FAAH O00519 1/20 0.36
MTNR1B P49286 3/20 0.35
MTNR1A P48039 2/20 0.35
MCL1 Q07820 2/20 0.35
BCL2L1 Q07817 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPT P10636 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 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
SCHEMBL4402849 0.88 ACACB (0.40) ACACBACACAFAAHMTNR1BMTNR1A
SCHEMBL4407249 0.88 ACACB (0.40) ACACBACACAFAAHMTNR1BMTNR1A
SCHEMBL4403583 0.87 ACACB (0.49) ACACBACACAFAAHMTNR1BMTNR1A
SCHEMBL14339221 0.83 LMNA (0.37) POLBFAAHMAPTMEN1NPC1
SCHEMBL14682200 0.82 KMT2A (0.40) ACACBACACAPOLBFAAHMTNR1B
SCHEMBL14682213 0.81 MEN1 (0.37) ACACBACACAPOLBMTNR1BMTNR1A
SCHEMBL15336467 0.73 ADORA3 (0.50) POLBFAAHMAPTMEN1NPC1
SCHEMBL14339223 0.72 PPARA (0.39) POLBFAAHMAPTMEN1NPC1
SCHEMBL12358731 0.72 ADORA3 (0.48) FAAHMAPTMEN1KMT2A
SCHEMBL14682198 0.72 PPARA (0.40) POLBMAPTMEN1NPC1RAB9A

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