SCHEMBL10807876

SCHEMBL10807876

C=CC(=O)NCCCCOC(=O)c1cc2ccccc2c(Cc2c(OCCCCNC(=O)C=C)c(C(=O)OCCCCNC(=O)C=C)cc3ccccc23)c1OCCCCNC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 16/20 0.42
▸ GPR35 Q9HC97 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ITK Q08881 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10809291 0.83 HDAC3 (0.50) TGM2
SCHEMBL10808053 0.81 TGM2 (0.46) TGM2ITKALDH1A1
SCHEMBL10818366 0.76 TGM2 (0.50) TGM2ITKKDM4EALDH1A1NPSR1
SCHEMBL10812833 0.75 TGM2 (0.44) TGM2POLBITKALDH1A1HPGD
SCHEMBL10807817 0.75 TDP1 (0.46) TGM2KDM4EALDH1A1
SCHEMBL11129807 0.75 TGM2 (0.43) TGM2
SCHEMBL10804128 0.74 TGM2 (0.46) TGM2ITKKDM4EALDH1A1HPGD
SCHEMBL10806745 0.74 CYP1A2 (0.40) TGM2ITKKDM4EALDH1A1HPGD
SCHEMBL10813991 0.74 TGM2 (0.39) TGM2KDM4EALDH1A1HPGD
SCHEMBL10805949 0.74 TGM2 (0.44) TGM2KDM4EALDH1A1

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
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
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