SCHEMBL11034797

SCHEMBL11034797

NC1=CC(=Cc2ccccc2)CC=C1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
KMT2A Q03164 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
F3 P13726 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HDAC3 O15379 1/20 0.32
TNKS O95271 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL7707431 0.70 MAOA (0.31) MAOAMAOB
SCHEMBL11052959 0.68 TDP1 (0.37) CYP1A2MAPTMEN1HPGDCDC25A
SCHEMBL8401484 0.66 CYP1A2 (0.33) CYP1A2MAOAMAOBF3ALDH1A1
SCHEMBL11034824 0.65 CYP1B1 (0.35) CYP1A2MAPTMEN1HPGDCDC25A
SCHEMBL5345283 0.65 CYP1A2 (0.41) CYP1A2MAPTMEN1HPGDCDC25A
SCHEMBL28066368 0.64 CYP1A2 (0.44) CYP1A2HPGDCDC25BTDP1L3MBTL1
SCHEMBL5800775 0.64 ALDH1A1 (0.35) CYP1A2MAPTMEN1CDC25BKMT2A
SCHEMBL9403197 0.62 SRD5A2 (0.44) MAPTMEN1HPGDCDC25ACDC25B
SCHEMBL12532851 0.60 TSHR (0.31) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL31147237 0.60 SRD5A2 (0.43) HPGDL3MBTL1MAOAMAOBALDH1A1

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-4433900-A Permanent display liquid crystal device via voltage application CANON KABUSHIKI KAISHA (JP) 1984-02-28 US disclosed