SCHEMBL20469739

SCHEMBL20469739

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

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 2/20 0.60
ATM Q13315 1/20 0.60
RECQL P46063 1/20 0.54
ALDH1A1 P00352 6/20 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
CA1 P00915 1/20 0.44
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 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
SCHEMBL15672775 0.85 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL55328 0.82 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7945598 0.81 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7217404 0.81 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL3847081 0.81 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7225285 0.80 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL245036 0.80 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL1232704 0.80 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL28396952 0.80 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL94797 0.80 CYP3A4 (0.70) 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-20210371663-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-02 US disclosed
US-10734132-B2 Bio-electrode composition, bio-electrode, method for manufacturing the bio-electrode, and polymer compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-04 US disclosed
US-20180223133-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING THE BIO-ELECTRODE, AND POLYMER COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-08-09 US disclosed