SCHEMBL8945001

SCHEMBL8945001

CCC[C@H]1CC[C@H](Cc2cc(C)ccc2S(=O)(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MEP1B Q16820 1/20 0.32
THRB P10828 1/20 0.32
CNR2 P34972 3/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
EPHX2 P34913 1/20 0.31
MPL P40238 1/20 0.31

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
SCHEMBL7526268 1.00 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTNFKB1
SCHEMBL6417418 0.86 AKR1C3 (0.36) CYP2C9ALDH1A1LMNAMAPTMEP1B
SCHEMBL9485617 0.86 PIK3CG (0.32) CYP2C9ALDH1A1LMNAMAPTMEP1B
SCHEMBL3389669 0.86 EPHX2 (0.40) LMNANPC1GAAPKMHTT
SCHEMBL20573229 0.86 EPHX2 (0.38) LMNANPC1GAAPKMHTT
SCHEMBL5802385 0.85 EPHX2 (0.42) NPC1GAAPKMHTTMEN1
SCHEMBL1133913 0.84 TSHR (0.34) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL23387579 0.84 MRGPRX1 (0.33) CYP2C9ALDH1A1LMNACNR2GAA
SCHEMBL348533 0.83 ADAMTS4 (0.38) CYP2C9ALDH1A1MEP1BNPC1GAA
SCHEMBL20300565 0.83 LMNA (0.33) ALDH1A1LMNAGAAHTTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5501818-A PYRIMIDINE COMPOUNDS, IMPROVED RESPONSE SPEED WITH LESS TEMPERATURE DEPENDENCE CANON KABUSHIKI KAISHA (JP) 1996-03-26 US disclosed
EP-0347944-B1 Ferroelectric chiral smectic liquid crystal composition and liquid crystal device using same CANON KK (JP) 1995-02-01 EP disclosed
EP-0347940-B1 Ferroelectric chiral smectic liquid crystal composition and liquid crystal device using same CANON KK (JP) 1994-09-21 EP disclosed
US-5292453-A Fluorine containing chiral smectic liquid crystal CANON KABUSHIKI KAISHA (JP) 1994-03-08 US disclosed
EP-0347940-A2 Ferroelectric chiral smectic liquid crystal composition and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1989-12-27 EP disclosed
EP-0347944-A2 Ferroelectric chiral smectic liquid crystal composition and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1989-12-27 EP disclosed