SCHEMBL4758254

SCHEMBL4758254

CCN1C(C)=C(C(=O)O)C(CC)(c2cccc(Cl)c2)C(C(=O)O)=C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CCR2 P41597 1/20 0.38
PKM P14618 1/20 0.36
NOTUM Q6P988 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36

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
SCHEMBL4757340 0.87 NOTUM (0.34) CCR2NOTUMPOLB
SCHEMBL4758299 0.85 LMNA (0.42) HCAR3HCAR2PKMALDH1A1LMNA
SCHEMBL4756162 0.85 TDP1 (0.40) HCAR2CCR2NOTUMHSD11B1ALDH1A1
SCHEMBL4757333 0.84 OPRM1 (0.36) CCR2NOTUMALDH1A1HPGDTSHR
SCHEMBL4758575 0.83 OPRM1 (0.39) CCR2NOTUMTSHRSLC6A4SLC6A3
SCHEMBL4758583 0.81 PYGL (0.38) NOTUMALDH1A1LMNAMAPTHPGD
SCHEMBL4758286 0.80 TSHR (0.36) HCAR2NOTUMALDH1A1LMNAMAPT
SCHEMBL4757320 0.80 HCAR2 (0.39) HCAR2NOTUMALDH1A1LMNAMAPT
SCHEMBL11210015 0.78 CACNA2D1 (0.46) LMNAMAPK1SLC6A4SLC6A3SLC6A2
SCHEMBL4758577 0.77 TSHR (0.36) NOTUMALDH1A1LMNAMAPTHPGD

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