SCHEMBL2815568

SCHEMBL2815568

C=C(C)C(=O)N(c1cccc2ccccc12)C(C)C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.38
ALOX5 P09917 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 3/20 0.34
ACACB O00763 1/20 0.33
MMP9 P14780 1/20 0.33
HTT P42858 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PER2 O15055 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
SCHEMBL2815024 0.77 LMNA (0.42) ALDH1A1MAPTHPGDNPSR1
SCHEMBL4079681 0.74 SIGMAR1 (0.59) SIGMAR1GAAMMP9
SCHEMBL31425728 0.74 SIGMAR1 (0.59) SIGMAR1GAAMMP9
SCHEMBL2815728 0.73 MMP9 (0.45) SIGMAR1ALDH1A1MAPTHPGDMMP9
SCHEMBL7245570 0.71 SIGMAR1 (0.42) SIGMAR1ALOX5CA1CA2GAA
SCHEMBL1336734 0.71 SIGMAR1 (0.56) SIGMAR1GAAALDH1A1MAPTMMP9
SCHEMBL29733586 0.71 SIGMAR1 (0.56) SIGMAR1GAAALDH1A1MAPTMMP9
SCHEMBL2428981 0.71 SIGMAR1 (0.56) SIGMAR1GAAALDH1A1MAPTMMP9
SCHEMBL11517103 0.69 SIGMAR1 (0.47) SIGMAR1ALOX5ALDH1A1MAPTHPGD
SCHEMBL6113112 0.69 SMPD2 (0.47) SIGMAR1GAASMPD2

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-20100247880-A1 NOVEL COPOLYMER, NOVEL COPOLYMER-CONTAINING COMPOSITION, LAMINATE BODY, METHOD OF PRODUCING METAL FILM-COATED MATERIAL, METAL FILM-COATED MATERIAL, METHOD OF PRODUCING METALLIC PATTERN-BEARING MATERIAL AND METALLIC PATTERN-BEARING MATERIAL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed