SCHEMBL6062258

SCHEMBL6062258

CCc1ccccc1C(=O)OCCOCCOCCOC(=O)c1ccccc1CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
TSHR P16473 8/20 0.58
TDP1 Q9NUW8 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
CYP3A4 P08684 3/20 0.54
MAPK1 P28482 3/20 0.54
TP53 P04637 2/20 0.54
SCN1A P35498 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54
LMNA P02545 4/20 0.53
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL6061788 1.00 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6440654 1.00 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL17797862 0.89 ALDH1A1 (0.68) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL17797850 0.89 ALDH1A1 (0.68) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28152877 0.88 TSHR (0.77) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9279757 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Propene SCHEMBL6061486 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Propene SCHEMBL6062112 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL2697097 0.86 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL16672727 0.85 TSHR (0.65) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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
EP-1454958-B1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEM CO LTD (JP) 2006-10-04 EP disclosed
US-20050001349-A1 Lactic acid polymer composition and molded object thereof NEW JAPAN CHEMICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1454958-A1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEMICAL CO.,LTD. (JP) 2004-09-08 EP disclosed