SCHEMBL9195698

SCHEMBL9195698

COc1ccc(C(O)CCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 4/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DPP8 Q6V1X1 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 2/20 0.50
HCRTR2 O43614 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8793050 0.85 MAPT (0.52) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL8794975 0.83 KMT2A (0.58) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL8793898 0.82 RAB9A (0.52) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL7333685 0.80 KMT2A (0.65) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL26544897 0.79 KMT2A (0.61) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL13059438 0.77 KMT2A (0.68) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL28263863 0.76 KMT2A (0.63) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL8795974 0.75 KMT2A (0.54) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL14996180 0.74 KMT2A (0.67) MAPTNPSR1ALDH1A1KMT2AMAPK1
SCHEMBL7650881 0.73 KMT2A (0.60) MAPTHPGDHTTNPSR1ALDH1A1

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
EP-0634401-A1 MDR reversal agents AMERICAN CYANAMID COMPANY (US) 1995-01-18 EP disclosed