SCHEMBL17034381

SCHEMBL17034381

C=C(C)C(=O)OCCOCCOC(=O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
THRB P10828 1/20 0.49
TSHR P16473 5/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SERPINE1 P05121 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL961274 0.96 TDP1 (0.63) TDP1THRBTSHRLMNAALDH1A1
SCHEMBL4640656 0.94 TDP1 (0.61) TDP1THRBTSHRLMNAALDH1A1
SCHEMBL1398208 0.91 TSHR (0.57) TDP1THRBTSHRLMNAALDH1A1
SCHEMBL17034392 0.90 TDP1 (0.73) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL129437 0.86 TSHR (0.62) TDP1THRBTSHRLMNAALDH1A1
SCHEMBL6061655 0.86 TDP1 (0.76) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL6062602 0.86 TDP1 (0.76) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL6063097 0.86 TDP1 (0.76) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL1398204 0.86 TSHR (0.51) TDP1THRBTSHRLMNAALDH1A1
SCHEMBL28996621 0.85 TSHR (0.61) TDP1THRBTSHRLMNAALDH1A1

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
WO-2015126666-A1 DENTAL COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 WO disclosed