SCHEMBL7777121

SCHEMBL7777121

O=C(OCCOCCOC(=O)c1cccc(O)c1O)c1cccc(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
SERPINE1 P05121 4/20 0.51
TSHR P16473 5/20 0.49
ALDH1A1 P00352 3/20 0.46
ALOX5 P09917 1/20 0.45
TERT O14746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
TYR P14679 2/20 0.43
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7775643 0.94 TDP1 (0.61) TDP1SERPINE1TSHRALDH1A1ALOX5
SCHEMBL11553487 0.86 TDP1 (0.56) TDP1SERPINE1TSHRALDH1A1ALOX5
SCHEMBL6062602 0.85 TDP1 (0.76) TDP1SERPINE1TSHRALDH1A1L3MBTL1
SCHEMBL6063097 0.85 TDP1 (0.76) TDP1SERPINE1TSHRALDH1A1L3MBTL1
SCHEMBL6061655 0.85 TDP1 (0.76) TDP1SERPINE1TSHRALDH1A1L3MBTL1
SCHEMBL5788119 0.84 ALDH1A1 (0.68) TDP1SERPINE1TSHRALDH1A1L3MBTL1
SCHEMBL11022598 0.83 NPC1 (0.56) TSHRALDH1A1L3MBTL1NPC1HPGD
SCHEMBL28276481 0.82 TYR (0.60) TDP1SERPINE1TSHRALDH1A1ALOX5
SCHEMBL20897156 0.81 TSHR (0.70) TDP1TSHRALDH1A1L3MBTL1TP53
SCHEMBL30239539 0.81 TSHR (0.70) TDP1TSHRALDH1A1L3MBTL1TP53

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-0445819-B1 Positive type photoresist composition FUJI PHOTO FILM CO LTD (JP) 2001-08-22 EP disclosed
EP-0445819-A2 Positive type photoresist composition FUJI PHOTO FILM CO., LTD. (JP) 1991-09-11 EP disclosed
EP-0148787-A2 Positive type photosensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1985-07-17 EP disclosed