SCHEMBL6048113

SCHEMBL6048113

C=C(CCC(O)COCC(CC)CCCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
TSHR P16473 3/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA2 P00918 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 6/20 0.39
RECQL P46063 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 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
SCHEMBL1260033 0.82 CYP1A2 (0.55) CYP3A4TDP1CYP1A2CYP2C19L3MBTL1
SCHEMBL1672657 0.82 CA2 (0.44) CYP3A4TSHRATMTDP1CA2
SCHEMBL18197377 0.81 CYP1A2 (0.61) CYP3A4CYP1A2CYP2C19ALDH1A1
Methacrylic Acid SCHEMBL18091198 0.81 TSHR (0.53) CYP3A4TSHRATMTDP1MMP9
SCHEMBL22167 0.80 CA2 (0.59) CYP3A4TSHRATMTDP1CA2
SCHEMBL14717767 0.80 CYP1A2 (0.59) CYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL4291475 0.80 CYP1A2 (0.59) CYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL14446057 0.80 CYP3A4 (0.55) CYP3A4TSHRATMTDP1MMP9
SCHEMBL14220438 0.78 CYP3A4 (0.53) CYP3A4TSHRATMTDP1MMP9
SCHEMBL613228 0.78 FFAR4 (0.52) CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7090909-B2 Hard coat agent composition and optical information medium using the same TDK CORPORATION (JP) 2006-08-15 US disclosed
US-20050158504-A1 Hard coat agent composition and optical information medium using the same TDK CORPORATION (JP) 2005-07-21 US disclosed