SCHEMBL7667786

SCHEMBL7667786

CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(Br)cc3F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.37
CYP3A4 P08684 2/20 0.36
ESR2 Q92731 2/20 0.36
GAA P10253 2/20 0.35
SPHK1 Q9NYA1 5/20 0.35
APP P05067 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RY14 Q15391 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 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
SCHEMBL7667791 1.00 CYP2C9 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9251492 0.90 CYP2C9 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9252916 0.89 SPHK1 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9251474 0.89 SPHK1 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9252920 0.89 SPHK1 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9250319 0.86 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL7672120 0.86 CYP2C9 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL7663713 0.86 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL7672125 0.86 CYP2C9 (0.40) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL7663705 0.86 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A

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