SCHEMBL3976487

SCHEMBL3976487

C=C(C)C([O])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SRC P12931 2/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 5/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5610369 0.78 CES2 (0.50) HPGDCES2CES1SRCCYP2D6
SCHEMBL10991107 0.76 CES2 (0.54) HPGDCES2CES1SRCCYP2D6
SCHEMBL9272891 0.75 SRC (0.50) HPGDSRCCYP2D6LMNAMAPT
SCHEMBL9806266 0.75 HPGD (0.48) HPGDSRCCYP2D6LMNAALDH1A1
SCHEMBL2318477 0.74 CYP2D6 (0.45) HPGDSRCCYP2D6LMNAKMT2A
SCHEMBL2249346 0.73 HPGD (0.63) HPGDCES2CES1CYP2D6LMNA
SCHEMBL12468637 0.73 HPGD (0.63) HPGDCES2CES1CYP2D6LMNA
SCHEMBL13849535 0.73 HPGD (0.63) HPGDCES2CES1CYP2D6LMNA
SCHEMBL2163297 0.73 HPGD (0.47) HPGDCYP2D6LMNAALDH1A1CYP3A4
SCHEMBL31440500 0.73 SRC (0.54) HPGDCES2CES1SRCCYP2D6

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