SCHEMBL7666207

SCHEMBL7666207

CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(F)c3F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2C9 P11712 1/20 0.39
ESR2 Q92731 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.37
SPHK1 Q9NYA1 6/20 0.36
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
WDR5 P61964 1/20 0.34

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
SCHEMBL7666214 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15255864 0.92 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7568425 0.91 CYP2C9 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7568419 0.91 CYP2C9 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10429862 0.90 CYP2C9 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9501064 0.90 CYP2C9 (0.40) CYP2C9ESR2MAPTMEN1MAPK1
SCHEMBL9561423 0.90 CYP2C9 (0.40) CYP2C9ESR2MAPTMEN1MAPK1
SCHEMBL9245531 0.89 CYP2C9 (0.39) CYP2C9ESR2MAPTMEN1MAPK1
SCHEMBL9245524 0.89 CYP2C9 (0.39) CYP2C9ESR2MAPTMEN1MAPK1
SCHEMBL9247183 0.88 SPHK1 (0.39) CYP2C9ESR2MAPTMEN1MAPK1

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-6388146-B1 AROMATIC UNSATURATED NOMONER SHARP KABUSHIKI KAISHA (JP) 2002-05-14 US disclosed