SCHEMBL4757340

SCHEMBL4757340

CCN1C(C)=C(C(=O)O)C(CC)(c2cc(Cl)cc(Cl)c2)C(C(=O)O)=C1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
TPMT P51580 1/20 0.33
CCR2 P41597 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31

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 0.86 OPRM1 (0.36) NOTUMCCR2
SCHEMBL4758337 0.77 HSD11B1 (0.36) NOTUMCCR2
SCHEMBL4757355 0.75 PYGM (0.39) NOTUM
SCHEMBL31412247 0.62 ELANE (0.41) L3MBTL1POLB
SCHEMBL31195695 0.60 ELANE (0.40) POLB
1,3,5-Trichlorobenzene SCHEMBL27988562 0.60 FFAR3 (0.56) NOTUMTPMTL3MBTL1
SCHEMBL5994409 0.55 ALDH1A1 (0.41)
1,3,5-Trichlorobenzene SCHEMBL28758659 0.55 TPMT (0.57) NOTUMTPMT
SCHEMBL16591245 0.54 SLC6A3 (0.37)
1,3,5-Trichlorobenzene SCHEMBL5940813 0.54 TSHR (0.67) TPMT

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