SCHEMBL7672125

SCHEMBL7672125

CCCCCC1CCC(c2ccc(-c3cc(F)c(N)cc3F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SPHK1 Q9NYA1 5/20 0.38
CYP3A4 P08684 3/20 0.36
ESR2 Q92731 2/20 0.36
GAA P10253 1/20 0.35
DGAT1 O75907 2/20 0.34
SOAT1 P35610 1/20 0.34
APP P05067 2/20 0.34
CYP2C8 P10632 1/20 0.34
S1PR3 Q99500 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 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
SCHEMBL7672120 1.00 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL27081818 0.96 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9251492 0.90 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9251474 0.89 SPHK1 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9252916 0.89 SPHK1 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9252920 0.89 SPHK1 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9250319 0.86 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7667791 0.86 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7667786 0.86 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8831427 0.85 CYP3A4 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1

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