SCHEMBL27166015

SCHEMBL27166015

CCCCC(CC)COC(=O)C(C)CC(CC)CCCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.60
TSHR P16473 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
ATM Q13315 1/20 0.60
RECQL P46063 1/20 0.54
ALDH1A1 P00352 7/20 0.53
CA2 P00918 4/20 0.53
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL7223742 0.92 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7218980 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL1108109 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL21052460 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7219456 0.88 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL13889051 0.88 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL19428728 0.87 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7629758 0.86 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7217028 0.86 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7218092 0.85 PRSS1 (0.60) CYP3A4TSHRTDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11926588-B2 Method for purifying (meth)acrylic esters using a divided wall column ARKEMA FRANCE (FR) 2024-03-12 US disclosed
US-20220106251-A1 METHOD FOR PURIFYING (METH)ACRYLIC ESTERS USING A DIVIDED WALL COLUMN ARKEMA FRANCE (FR) 2022-04-07 US disclosed
CN-113348162-A Method for purifying (meth) acrylic esters using a dividing wall column 阿科玛法国公司 2021-09-03 CN disclosed