SCHEMBL28027822

SCHEMBL28027822

CCCCC(CC)COCC(C)(O)C=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
CYP3A4 P08684 6/20 0.45
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 7/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
CA2 P00918 3/20 0.39
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL342459 0.84 CYP3A4 (0.47) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL9229713 0.83 CYP3A4 (0.50) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL30910034 0.81 CYP3A4 (0.55) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL20653184 0.78 CYP3A4 (0.55) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL12976468 0.78 CYP3A4 (0.55) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL12976464 0.78 CYP3A4 (0.55) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL18427203 0.77 CYP3A4 (0.50) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL27450488 0.77 CYP3A4 (0.50) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL20653110 0.77 CYP3A4 (0.50) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL18427278 0.77 CYP3A4 (0.50) TSHRCYP3A4TDP1ATML3MBTL1

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
CN-103261353-B The Thermocurable encapsulant composition of quick formation skinning and high tensile SIKA TECHNOLOGY AG (CH) 2015-10-14 CN disclosed