SCHEMBL6942683

SCHEMBL6942683

Cc1cc(O)ccc1C1C2CC3CC(C2)CC1(CC(N)=O)C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 2/20 0.39
P2RX7 Q99572 3/20 0.36
FAAH O00519 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL6941696 0.86 P2RX7 (0.40) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL6945341 0.81 P2RX7 (0.34) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL6941692 0.79 STS (0.34) MEN1KMT2AP2RX7EPHX2SMN1; SMN2
SCHEMBL6943637 0.76 P2RX7 (0.48) ALDH1A1MAPTMEN1KMT2AP2RX7
SCHEMBL6680351 0.66 EPHX2 (0.41) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL28144676 0.65 ALDH1A1 (0.39) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL8104812 0.65 HSP90AA1 (0.37) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL28347088 0.65 HSP90AA1 (0.37) MAPTMEN1GAAKMT2AHSP90AA1
SCHEMBL11858437 0.64 ALDH1A1 (0.38) ALDH1A1MEN1HTTKMT2AEPHX2
SCHEMBL6941223 0.63 P2RX7 (0.70) P2RX7EPHX2

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-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP claimed