SCHEMBL11015181

SCHEMBL11015181

C=C(C)C(=O)OCCOc1c(/C=C\C)cccc1/C=C\C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.36
NFE2L2 Q16236 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALOX5 P09917 2/20 0.33
PTGES O14684 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11015183 1.00 THRB (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL10705069 0.82 TSHR (0.39) POLBAPEX1HTTTDP1TSHR
SCHEMBL10959455 0.82 TSHR (0.39) POLBAPEX1HTTTDP1TSHR
SCHEMBL11064205 0.79 ELANE (0.41) POLBNFE2L2MEN1KMT2AALOX5
SCHEMBL11064202 0.79 ELANE (0.41) POLBNFE2L2MEN1KMT2AALOX5
SCHEMBL15911020 0.78 MAPT (0.48) THRBPOLBAPEX1HTTTDP1
SCHEMBL11018514 0.77 TSHR (0.33) TSHRNFE2L2MEN1KMT2ASMN1; SMN2
SCHEMBL11018511 0.77 TSHR (0.33) TSHRNFE2L2MEN1KMT2ASMN1; SMN2
SCHEMBL13594741 0.77 THRB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL11015369 0.76 POLB (0.37) THRBPOLBAPEX1HTTTDP1

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-0031305-B1 COMPOSITIONS CONTAINING ACRYLATE AND THEIR POLYMERISATION CIBA-GEIGY AG (CH) 1985-10-02 EP disclosed
US-4463169-A Three component, carboxyl-containing compositions comprising dimercaptan CIBA-GEIGY CORPORATION (US) 1984-07-31 US disclosed
US-4439291-A Acrylate-containing compositions and their polymerization CIBA-GEIGY CORPORATION (US) 1984-03-27 US disclosed