SCHEMBL3976485

SCHEMBL3976485

C=C(C)c1ccccc1C[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
FOLH1 Q04609 1/20 0.34
HPGD P15428 2/20 0.34
CLCN2 P51788 2/20 0.33
TSHR P16473 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL721894 0.84 GABRA1 (0.44) ALDH1A1LMNAFOLH1HPGDCLCN2
SCHEMBL29396009 0.84 GABRA1 (0.44) ALDH1A1LMNAFOLH1HPGDCLCN2
SCHEMBL3284499 0.82 ALDH1A1 (0.43) ALDH1A1LMNAFOLH1TSHRKDM4E
SCHEMBL1066307 0.80 LMNA (0.43) ALDH1A1LMNAHPGDTSHRMAOA
SCHEMBL5610368 0.80 LMNA (0.44) ALDH1A1LMNAFOLH1HPGDCLCN2
SCHEMBL3427031 0.79 L3MBTL1 (0.46) ALDH1A1LMNAFOLH1HPGDCLCN2
Dimethylamine SCHEMBL27844896 0.79 CLCN2 (0.41) ALDH1A1LMNAHPGDCLCN2TSHR
SCHEMBL30059469 0.79 L3MBTL1 (0.46) ALDH1A1LMNAFOLH1HPGDCLCN2
SCHEMBL18599713 0.78 PNMT (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2MAOA
SCHEMBL19502268 0.78 ALDH1A1 (0.33) ALDH1A1LMNAFOLH1HPGDCLCN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130038-B1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORP (JP) 2009-05-06 EP claimed
US-20050263745-A1 Method of preparing a ceramic artificial crown and a preparation kit used therefor TOKUYAMA CORPORATION (JP) 2005-12-01 US claimed
EP-1130038-A1 CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2001-09-05 EP claimed
US-8529789-B2 Curable composition TOKUYAMA CORPORATION (JP) 2013-09-10 US disclosed
EP-1130038-B1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORP (JP) 2009-05-06 EP disclosed
US-20050263745-A1 Method of preparing a ceramic artificial crown and a preparation kit used therefor TOKUYAMA CORPORATION (JP) 2005-12-01 US disclosed
EP-1130038-A1 CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2001-09-05 EP disclosed