SCHEMBL6401319

SCHEMBL6401319

CC(COC(=O)C1CCCCC1C)OC(=O)C1CCCCC1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSK P43235 4/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSH P09668 2/20 0.33
RAB9A P51151 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3290609 0.84 EPHX1 (0.40) EPHX1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL3345186 0.83 EPHX1 (0.44) EPHX1TP53CYP3A4SMN1; SMN2CTSK
SCHEMBL16865176 0.83 L3MBTL1 (0.38) SMN1; SMN2RAB9AHSP90AA1HSP90AB1
SCHEMBL3288846 0.79 EPHX1 (0.50) EPHX1TP53CYP3A4SMN1; SMN2TSHR
SCHEMBL1195441 0.77 EPHX1 (0.38) EPHX1TP53CYP3A4ADRB2ADRB1
SCHEMBL28550950 0.77 TP53 (0.48) EPHX1TP53CYP3A4ADRB2ADRB1
SCHEMBL28559550 0.77 TP53 (0.48) EPHX1TP53CYP3A4ADRB2ADRB1
SCHEMBL6409819 0.77 EPHX1 (0.52) EPHX1TP53CYP3A4SMN1; SMN2
SCHEMBL234626 0.77 TP53 (0.48) EPHX1TP53CYP3A4ADRB2ADRB1
SCHEMBL1295864 0.77 TP53 (0.42) TP53CYP3A4ADRB2ADRB1ADRB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209365-A1 ink jet printing is disclosed, containing a compound represented by the following formula (a-1) or (a-2) and an alicyclic epoxy compound represented by the following formula (b). An image forming method by use thereof is also disclosed KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-09-22 US disclosed