SCHEMBL657590

SCHEMBL657590

CCCCC(COCCOC(=O)c1ccccc1C(=O)O)OCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 9/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 2/20 0.50
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7773891 0.85 PRSS1 (0.59) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6022670 0.85 ALDH1A1 (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6027275 0.84 ALDH1A1 (0.50) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL3667882 0.83 TSHR (0.58) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6560805 0.82 ALDH1A1 (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL659921 0.81 ALDH1A1 (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6561113 0.81 ALDH1A1 (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6561282 0.81 ALDH1A1 (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6561259 0.81 ALDH1A1 (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1919907 0.81 TSHR (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1

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-20120046402-A1 POLY LACTIC ACID-CONTAINING FILM OR SHEET, AND METHOD FOR MANUFACTURING THEREOF NITTO DENKO CORPORATION (JP) 2012-02-23 US disclosed