SCHEMBL7097664

SCHEMBL7097664

CC(C)COc1ccccc1-c1cc(CCl)ccc1CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TP53 P04637 2/20 0.36
MDM2 Q00987 2/20 0.36
TLR8 Q9NR97 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRNA7 P36544 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL4334343 0.81 HTR7 (0.53) HTR7TTRHTR2CHTR1AHTR1D
SCHEMBL4331248 0.80 ALDH1A1 (0.43) ALDH1A1MAPTTHRBGPR55TP53
SCHEMBL4337116 0.77 MAPT (0.40) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL4339135 0.77 SLC16A3 (0.39) MEN1KMT2A
SCHEMBL30023409 0.75 CSNK2A2 (0.38) ALDH1A1MAPTKMT2ATTR
SCHEMBL19002950 0.75 CSNK2A2 (0.38) ALDH1A1MAPTKMT2ATTR
SCHEMBL4348145 0.72 HTR7 (0.36) ALDH1A1MAPTTP53PPARGHTR7
SCHEMBL8061987 0.72 PDK2 (0.37) GCGRMAPK14ALDH1A1MAPTTP53
SCHEMBL5072255 0.72 IDO1 (0.37) MAPTTP53TLR8PPARGGAA
SCHEMBL11464129 0.71 LMNA (0.56) ALDH1A1MAPTTHRBGPR55TP53

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-1310540-A1 Polymer electroluminescent device Koninklijke Philips Electronics N.V. (NL) 2003-05-14 EP disclosed