SCHEMBL4403583

SCHEMBL4403583

COC(=O)Oc1ccc(C2(c3ccc(OC(=O)Oc4ccc(-c5ccc(Oc6cccc(Oc7ccc(-c8ccc(OC)cc8)cc7)c6)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.49
MTNR1B P49286 10/20 0.44
MTNR1A P48039 6/20 0.44
ACACA Q13085 5/20 0.43
FAAH O00519 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PGR P06401 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CTSK P43235 1/20 0.39

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) ACACBMTNR1BMTNR1AACACAFAAH
SCHEMBL4404419 0.87 ACACB (0.42) ACACBMTNR1BMTNR1AACACAFAAH
SCHEMBL4407249 0.87 ACACB (0.40) ACACBMTNR1BMTNR1AACACAFAAH
SCHEMBL13583422 0.85 SLC6A4 (0.49) FAAHTRPV1
SCHEMBL14339226 0.83 KMT2A (0.46) MTNR1BMTNR1AFAAHTRPV1PGR
SCHEMBL12919554 0.81 KMT2A (0.48) PGR
SCHEMBL12404386 0.81 KMT2A (0.48) PGR
SCHEMBL13986180 0.81 KMT2A (0.48) FAAHTRPV1PGR
SCHEMBL14682200 0.81 KMT2A (0.40) ACACBMTNR1BMTNR1AACACAFAAH
SCHEMBL15336467 0.81 ADORA3 (0.50) FAAHTRPV1

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