SCHEMBL659921

SCHEMBL659921

CCCCOC(COCCOC(=O)c1ccccc1C(=O)O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
TSHR P16473 7/20 0.55
CYP3A4 P08684 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 3/20 0.55
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.48
HSD17B10 Q99714 3/20 0.45
CA2 P00918 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 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
SCHEMBL3667882 0.86 TSHR (0.58) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL15412661 0.82 TDP1 (0.46) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL657590 0.81 TSHR (0.52) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL6561282 0.81 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL6561113 0.81 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL6561259 0.81 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL31426841 0.81 TSHR (0.71) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL1919907 0.81 TSHR (0.71) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL14672550 0.81 TSHR (0.71) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL15412660 0.80 TDP1 (0.43) TDP1L3MBTL1LMNANPC1RAB9A

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