SCHEMBL4758337

SCHEMBL4758337

CCN1C(C)=C(C(=O)O)C(CC)(c2ccc(F)cc2)C(C(=O)O)=C1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.36
OPRM1 P35372 1/20 0.36
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
TSHR P16473 1/20 0.33
AKR1B1 P15121 1/20 0.33
CCR2 P41597 1/20 0.33
NOTUM Q6P988 1/20 0.33
FPR2 P25090 2/20 0.32
METAP2 P50579 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
SCHEMBL4758299 0.87 LMNA (0.42) OPRM1HCAR3HCAR2TSHR
SCHEMBL4757333 0.86 OPRM1 (0.36) OPRM1TSHRAKR1B1CCR2NOTUM
SCHEMBL3392997 0.81 TDP1 (0.40)
SCHEMBL4755316 0.78 HCAR2 (0.36) HCAR2TSHRNOTUM
SCHEMBL4757340 0.77 NOTUM (0.34) CCR2NOTUM
SCHEMBL4757355 0.72 PYGM (0.39) NOTUM
SCHEMBL11008245 0.70 LMNA (0.39) OPRM1HCAR3HCAR2TSHR
SCHEMBL4755372 0.69 TSHR (0.39) TSHR
SCHEMBL31412247 0.65 ELANE (0.41) FPR2
SCHEMBL31195695 0.63 ELANE (0.40) TSHR

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