SCHEMBL9765812

SCHEMBL9765812

O=C(OCCCCOC(=O)c1ccccc1O)c1ccccc1O

nearest known ligand 0.92

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.92
TSHR P16473 5/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 5/20 0.62
LMNA P02545 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SERPINE1 P05121 1/20 0.52

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
SCHEMBL29408707 0.98 TDP1 (0.89) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL15397549 0.98 TDP1 (0.89) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL12083356 0.96 TDP1 (1.00) TDP1TSHRTP53CYP3A4MAPK1
Ammonia Solution, Strong SCHEMBL11053275 0.94 TDP1 (0.96) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL28067202 0.93 TDP1 (0.80) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL30416074 0.92 TDP1 (0.85) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL6063013 0.92 TDP1 (0.85) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL31185589 0.91 TDP1 (0.77) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL12095195 0.91 TSHR (0.81) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL2138083 0.91 TDP1 (0.77) TDP1TSHRTP53CYP3A4MAPK1

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
JP-3221521-A None JP disclosed
US-8591640-B1 Bio-renewable fast crystallizing phase change inks XEROX CORPORATION (US) 2013-11-26 US disclosed
JP-H03221521-A WHOLLY AROMATIC POLYESTER, FILM AND MOLDED PRODUCT THEREOF TOYOBO CO LTD 1991-09-30 JP disclosed