SCHEMBL5849855

SCHEMBL5849855

C=C(C)C(=O)OCC(C)(C)N1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HTT P42858 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL8098270 0.83 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL8747653 0.74 ALDH1A1 (0.56) TSHRTHRBALDH1A1HPGDCYP1A2
SCHEMBL22237558 0.71 MGLL (0.34) ALDH1A1HPGDCYP1A2CYP2C19BLM
Maleic Anhydride SCHEMBL8699927 0.71 TSHR (0.37) TSHRTHRBALDH1A1HTTTDP1
SCHEMBL396824 0.70 TSHR (0.50) TSHRTHRBALDH1A1CYP2C19HTT
SCHEMBL15337 0.70 TSHR (0.50) TSHRTHRBALDH1A1HTTTDP1
SCHEMBL51592 0.70 TSHR (0.50) TSHRTHRBALDH1A1HTTTDP1
SCHEMBL211511 0.70 MGLL (0.48) TSHRTHRBALDH1A1HPGDCYP1A2
SCHEMBL17104462 0.70 KMT2A (0.34) TSHRTHRBALDH1A1HTTTDP1
SCHEMBL6249922 0.69 TSHR (0.48) TSHRTHRBALDH1A1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084186-B2 Crosslinkable resin compositions TOAGOSEI CO., LTD. (JP) 2006-08-01 US disclosed
US-20020028302-A1 Crosslinkable resin compositions TOAGOSEI CO. LTD. 2002-03-07 US disclosed
US-4857614-A Radiation-sensitive polymers which form a metal complex, process for the polymerization of acetylene, and coated material CIBA-GEIGY CORPORATION (US) 1989-08-15 US disclosed
US-4713422-A ADDITION POLYMERS BASED ON A 2,2*-BIPYRIDYL-CONTAINING MONOMER AND A PHOTOSENSITIVE MONOMER CIBA-GEIGY CORPORATION (US) 1987-12-15 US disclosed
US-4626497-A PHOTOPOLYMERIZABLE ADDITION POLYMER WITH PENDANT MALEIMIDE GROUPS CIBA-GEIGY AG (CH) 1986-12-02 US disclosed
US-4490461-A CROSSLINKED PARTICLES CIBA-GEIGY AG (CH) 1984-12-25 US disclosed
EP-0099861-A2 Process for the preparation of photographic materials CIBA-GEIGY AG (CH) 1984-02-01 EP disclosed