SCHEMBL8435882

SCHEMBL8435882

CCCCCCNC(=O)OC(C)CC

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.61
ACHE P22303 7/20 0.49
CASP2 P42575 1/20 0.47

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
SCHEMBL10972245 0.93 ACHE (0.55) EPHX1ACHE
SCHEMBL12599419 0.88 EPHX1 (0.59) EPHX1
SCHEMBL27050907 0.85 EPHX1 (0.66) EPHX1ACHE
SCHEMBL10252302 0.85 EPHX1 (0.66) EPHX1ACHE
SCHEMBL10304512 0.85 EPHX1 (0.66) EPHX1ACHE
SCHEMBL19508891 0.85 EPHX1 (0.66) EPHX1ACHE
SCHEMBL11419405 0.85 CHRNB2 (0.46) EPHX1ACHE
SCHEMBL21203082 0.84 EPHX1 (0.42) EPHX1ACHE
SCHEMBL16443675 0.84 EPHX1 (0.63) EPHX1ACHECASP2
SCHEMBL29161883 0.84 EPHX1 (0.63) EPHX1ACHECASP2

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-5990195-A POLYMERIZING A FILLER, A (METH)ACRYLATE AND PROMOTER AT A PRESSURE OF 50-300 MPA AND TEMPERATURE OF 100-200 DEGREES C.; MILLING USING A CAD/CAM DEVICE; ESTHETICS; MECHANICAL PROPERTIES; FREE OF FOAM AND MONOMER; CROWNS; INLAYS; CROWNS GC CORPORATION (JP) 1999-11-23 US disclosed