SCHEMBL28059810

SCHEMBL28059810

CC(Nc1ccc(Br)cc1)C(=O)O.CCOC(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
FPR2 P25090 6/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KYAT1 Q16773 1/20 0.41
RAB9A P51151 1/20 0.40
NHERF1 O14745 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
DHODH Q02127 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 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
SCHEMBL3972557 0.83 FPR2 (0.51) KDM4EALDH1A1SMN1; SMN2TDP1FPR2
SCHEMBL3381061 0.83 FPR2 (0.51) KDM4EALDH1A1SMN1; SMN2TDP1FPR2
SCHEMBL16197782 0.82 GAA (0.49) KDM4EALDH1A1SMN1; SMN2GAATDP1
Hydrochloric Acid SCHEMBL4532062 0.81 GAA (0.48) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL6706829 0.77 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL6706826 0.77 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL27873168 0.75 SLC7A5 (0.50) KDM4EALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL6723220 0.74 CA12 (0.63) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL28243601 0.74 RXRA (0.49) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL27783285 0.74 HPGD (0.46) ALDH1A1SMN1; SMN2GAATDP1FPR2

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
CN-105492494-A Production method for polyamino acid TAKEDA PHARMACEUTICALS CO 2016-04-13 CN disclosed