SCHEMBL2768280

SCHEMBL2768280

C=CC(=O)OC(COCC)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.42
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRA P10827 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL218320 0.85 THRB (0.46) THRBMTNR1AMTNR1BTSHRMAPT
SCHEMBL183158 0.85 THRB (0.44) THRBMTNR1AMTNR1BTSHRKMT2A
SCHEMBL5355849 0.84 THRB (0.53) THRBMTNR1AMTNR1BTSHRMAPT
SCHEMBL30308292 0.84 THRB (0.57) THRBMTNR1AMTNR1BTSHRKMT2A
SCHEMBL3053163 0.83 THRB (0.44) THRBMTNR1AMTNR1BMAPTLMNA
SCHEMBL1523936 0.83 THRB (0.43) THRBMTNR1AMTNR1BTSHRMAPT
SCHEMBL125488 0.83 THRB (0.43) THRBMTNR1AMTNR1BTSHRMAPT
Ether SCHEMBL7078862 0.82 THRB (0.43) THRBMTNR1AMTNR1BTSHRMAPT
SCHEMBL9337651 0.81 THRB (0.47) THRBMTNR1AMTNR1BTSHRLMNA
SCHEMBL9491739 0.81 THRB (0.43) THRBTSHRTDP1THRAPPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569013-B1 Curable composition for optical parts NIPPON CATALYTIC CHEM IND (JP) 2010-04-14 EP disclosed
US-20070049655-A1 Radiation-curable composition and cured product thereof NIPPON SHOKUBAI CO., LTD. (JP) 2007-03-01 US disclosed
US-20050192373-A1 Curable composition for optical parts NIPPON SHOKUBAI CO., LTD. 2005-09-01 US disclosed
EP-1569013-A2 Curable composition for optical parts NIPPON SHOKUBAI CO., LTD. (JP) 2005-08-31 EP disclosed