SCHEMBL10801892

SCHEMBL10801892

C=CC(=O)NCCCCOc1cccc(OCCCCNC(=O)C=C)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.45
▸ ZDHHC20 Q5W0Z9 1/20 0.44
▸ ZDHHC2 Q9UIJ5 1/20 0.44
▸ PTPN1 P18031 9/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ ITK Q08881 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39

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
SCHEMBL10806798 0.86 KDM4E (0.56) TGM2ZDHHC20ZDHHC2KDM4ECYP1A2
SCHEMBL10803446 0.84 TGM2 (0.56) TGM2ZDHHC20ZDHHC2MTNR1AITK
SCHEMBL10806417 0.83 TGM2 (0.49) TGM2ZDHHC20ZDHHC2MTNR1AITK
SCHEMBL10807055 0.83 TGM2 (0.49) TGM2ZDHHC20ZDHHC2MTNR1AITK
SCHEMBL10362416 0.83 TGM2 (0.44) TGM2ZDHHC20ZDHHC2MTNR1AKDM4E
SCHEMBL10803598 0.83 SMN1; SMN2 (0.50) TGM2ZDHHC20ZDHHC2MTNR1AKDM4E
SCHEMBL10362427 0.81 ALDH1A1 (0.57) TGM2ZDHHC20ZDHHC2KDM4ECYP1A2
SCHEMBL10818993 0.81 GAA (0.54) TGM2ZDHHC20ZDHHC2ITKKDM4E
SCHEMBL10812452 0.81 ALDH1A1 (0.46) TGM2ZDHHC20ZDHHC2PTPN1MTNR1A
SCHEMBL10363161 0.80 TGM2 (0.51) TGM2ZDHHC20ZDHHC2ITKKDM4E

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
Send feedback