SCHEMBL257251

SCHEMBL257251

C=CC(C)c1cc(Br)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
DHODH Q02127 1/20 0.37
SORT1 Q99523 4/20 0.37
ALDH1A1 P00352 1/20 0.37
ELANE P08246 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ACE2 Q9BYF1 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 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
SCHEMBL17912492 0.82 CA12 (0.47) MYCL3MBTL1MEN1KMT2APOLB
SCHEMBL8054469 0.82 ACE2 (0.50) KDM4EMYCL3MBTL1MEN1KMT2A
SCHEMBL3194641 0.81 KDM4E (0.48) KDM4EGLAMYCNR4A1L3MBTL1
SCHEMBL29005696 0.80 KDM4E (0.47) KDM4EGLAMYCNR4A1L3MBTL1
SCHEMBL27961101 0.76 ALDH1A1 (0.46) KDM4EMYCNR4A1L3MBTL1KMT2A
SCHEMBL11613901 0.75 KDM4E (0.50) KDM4EGLAMYCNR4A1MEN1
SCHEMBL3201674 0.75 KDM4E (0.43) KDM4EGLAMYCNR4A1L3MBTL1
SCHEMBL17187941 0.75 KDM4E (0.43) KDM4EGLAMYCNR4A1L3MBTL1
SCHEMBL257228 0.74 KDM4E (0.48) KDM4EGLAMYCNR4A1MEN1
SCHEMBL6132146 0.73 CYP1A2 (0.41) MEN1KMT2AMAPTALDH1A1ELANE

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
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed