SCHEMBL10808053

SCHEMBL10808053

C=CC(=O)NCCCCOC(=O)c1cc2ccccc2cc1OCCCCNC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 8/20 0.46
▸ ITK Q08881 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL10807948 0.91 CASP1 (0.46) TGM2CASP1MTNR1AMTNR1BGAA
SCHEMBL10818366 0.85 TGM2 (0.50) TGM2ITKTSHRTDP1L3MBTL1
SCHEMBL10808542 0.81 ITK (0.43) TGM2ITKTDP1L3MBTL1MAPK1
SCHEMBL10805904 0.81 HPGD (0.44) TGM2ITKTSHRTDP1L3MBTL1
SCHEMBL11017564 0.81 TGM2 (0.44) TGM2ITKTDP1GAAALDH1A1
SCHEMBL10803048 0.81 KDM4E (0.46) TGM2ITKALDH1A1LMNA
SCHEMBL10803116 0.81 TSHR (0.44) TGM2TSHRL3MBTL1TP53MAPK1
SCHEMBL10807876 0.81 TGM2 (0.42) TGM2ITKALDH1A1
SCHEMBL10807794 0.81 TGM2 (0.40) TGM2ITKMTNR1AMTNR1BGAA
SCHEMBL10808692 0.81 TGM2 (0.40) TGM2ITKTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
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