SCHEMBL7784891

SCHEMBL7784891

COc1ccc(C(N[C@@H](C)C2CCCCC2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
ACKR3 P25106 2/20 0.37
MAPKAPK2 P49137 2/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
PLK1 P53350 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
AURKB Q96GD4 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
GALR2 O43603 3/20 0.35
GALR1 P47211 3/20 0.35
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL7787472 0.92 MEN1 (0.40) MEN1KMT2APOLBACKR3MAPKAPK2
SCHEMBL7785096 0.92 MEN1 (0.40) MEN1KMT2APOLBACKR3MAPKAPK2
SCHEMBL7789190 0.86 ACKR3 (0.41) MEN1KMT2APOLBACKR3MAPKAPK2
SCHEMBL7785718 0.86 ACKR3 (0.41) MEN1KMT2APOLBACKR3MAPKAPK2
SCHEMBL7787598 0.85 MAPKAPK2 (0.43) MEN1KMT2APOLBMAPKAPK2ROCK2
Hydrochloric Acid SCHEMBL7803812 0.85 ACKR3 (0.40) MEN1KMT2APOLBACKR3MAPKAPK2
SCHEMBL7785121 0.84 MAPKAPK2 (0.46) MEN1KMT2APOLBMAPKAPK2ROCK2
SCHEMBL7784990 0.83 POLB (0.46) MEN1KMT2APOLBMAPKAPK2PLK1
SCHEMBL7787745 0.82 MAPKAPK2 (0.41) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7787694 0.81 KMT2A (0.41) MEN1KMT2APOLBMAPKAPK2PLK1

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed