SCHEMBL4369859

SCHEMBL4369859

CC(O)CC(C)(O)CC(=O)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TET2 Q6N021 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL680882 0.73 ALDH1A1 (0.40) CHRNB2CHRNB4CHRNA4HMGCRCHRM1
SCHEMBL16074731 0.72 MAPK1 (0.39) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Hexylene Glycol SCHEMBL28202342 0.71 PIK3CD (0.31)
SCHEMBL1031007 0.71 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL1615550 0.71 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL5174067 0.71 ALDH1A1 (0.39) CHRNB2CHRNB4CHRNA4HMGCRCHRM1
SCHEMBL14159859 0.71 ALDH1A1 (0.39) CHRNB2CHRNB4CHRNA4HMGCRCHRM1
SCHEMBL29043545 0.71 TET2 (0.35) TET2ALDH1A1
Benzene SCHEMBL1002002 0.67 CCR5 (0.37) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL11122792 0.67 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A

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-20090027596-A1 POLARIZING PLATE LAMINATED WITH A RETARDATION LAYER, LIQUID CRYSTAL PANEL, AND LIQUID CRYSTAL DISPLAY APPARATUS NITTO DENKO CORPORATION (JP) 2009-01-29 US disclosed