SCHEMBL13668299

SCHEMBL13668299

CC(=O)c1ccc(C2(c3ccc(C(C)=O)cc3)NC(=O)c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.45
MDM2 Q00987 1/20 0.43
S100A4 P26447 1/20 0.41
PDK2 Q15119 1/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ITGA4 P13612 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.38
TGM2 P21980 1/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTPN6 P29350 1/20 0.38
AKR1B1 P15121 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL10049655 0.81 KMT2A (0.50) MAPTSMN1; SMN2GAAITGA4ALDH1A1
SCHEMBL29508189 0.81 KMT2A (0.50) MAPTSMN1; SMN2GAAITGA4ALDH1A1
SCHEMBL10049648 0.81 ITGA4 (0.43) MDM2MAPTITGA4ALDH1A1LMNA
SCHEMBL11990851 0.80 ITGA4 (0.48) S100A4MAPTGAAITGA4ALDH1A1
SCHEMBL24160883 0.78 MAPT (0.51) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL17814239 0.77 ATM (0.47) AGTR1MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL22268171 0.77 TNKS2 (0.47) MDM2MAPTITGA4ALDH1A1KDM4E
SCHEMBL17813126 0.75 ITGA4 (0.41) AGTR1S100A4MAPTSMN1; SMN2ITGA4
SCHEMBL8984549 0.74 MAPT (0.53) AGTR1MDM2S100A4PDK2MAPT
SCHEMBL8143530 0.74 ESR1 (0.57) MAPTSMN1; SMN2ITGA4ALDH1A1HTT

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-7608309-B2 Resin composition, film and image display device utilizing the resin composition FUJIFILM CORPORATION (JP) 2009-10-27 US disclosed
US-7608309-B2 Resin composition, film and image display device utilizing the resin composition FUJIFILM CORPORATION (JP) 2009-10-27 US disclosed