SCHEMBL5504544

SCHEMBL5504544

[CH2]CCC1CCC(O)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
TSHR P16473 1/20 0.33
SHBG P04278 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
SCHEMBL22772 0.85
SCHEMBL4809683 0.84 LMNA (0.34) TSHRSHBG
SCHEMBL7359888 0.84
SCHEMBL10576267 0.82 TSHR (0.41) EPHX2TSHRSHBG
SCHEMBL149054 0.82 TSHR (0.41) EPHX2TSHRSHBG
SCHEMBL5678819 0.78 ESR1 (0.35)
SCHEMBL796462 0.77 SLC18A3 (0.40) EPHX2TSHRSHBG
SCHEMBL6395060 0.77
SCHEMBL7068277 0.77 SIGMAR1 (0.39) EPHX2TSHRSHBG
SCHEMBL25025914 0.74 ESR2 (0.43) TSHRSHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789398-A1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-30 EP disclosed
WO-2006024932-A1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (US) 2006-03-09 WO disclosed
EP-0852225-B1 FIBRINOGEN RECEPTOR ANTAGONISTS AND MEDICINAL PREPARATIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT NIPPON STEEL CORP (JP) 2002-10-30 EP disclosed
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed
EP-0852225-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND MEDICINAL PREPARATIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT NIPPON STEEL CORPORATION (JP) 1998-07-08 EP disclosed
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed