SCHEMBL4758575

SCHEMBL4758575

CCN1C(C)=C(C(=O)O)C(CC)(c2ccc(Cl)c(Cl)c2)C(C(=O)O)=C1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
SLC6A3 Q01959 7/20 0.39
SLC6A4 P31645 6/20 0.39
CCR2 P41597 3/20 0.37
TSHR P16473 1/20 0.35
SLC6A2 P23975 2/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL4757333 0.85 OPRM1 (0.36) OPRM1CCR2TSHRNOTUM
SCHEMBL4758254 0.83 HCAR3 (0.39) SLC6A3SLC6A4CCR2TSHRSLC6A2
SCHEMBL4757340 0.82 NOTUM (0.34) CCR2NOTUM
SCHEMBL4757320 0.81 HCAR2 (0.39) TSHRNOTUM
SCHEMBL4758299 0.80 LMNA (0.42) OPRM1SLC6A4TSHR
SCHEMBL4758337 0.80 HSD11B1 (0.36) OPRM1CCR2TSHRNOTUM
SCHEMBL4758583 0.80 PYGL (0.38) TSHRNOTUM
SCHEMBL4758273 0.80 CNR1 (0.39)
SCHEMBL4756162 0.78 TDP1 (0.40) OPRM1SLC6A4CCR2TSHRSLC6A2
SCHEMBL4758286 0.78 TSHR (0.36) SLC6A3SLC6A4TSHRNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed