SCHEMBL4756152

SCHEMBL4756152

CCN1C(C)=C(C(=O)O)C(CC)(c2ccccc2Br)C(C(=O)O)=C1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
PYGM P11217 3/20 0.32
PYGL P06737 2/20 0.32
ALDH1A1 P00352 5/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CNR1 P21554 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
PDE7A Q13946 1/20 0.31
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4755316 0.84 HCAR2 (0.36) LMNAPYGMPYGLALDH1A1CNR1
SCHEMBL4089394 0.83 APP (0.41) LMNAALDH1A1SMN1; SMN2RECQLKMT2A
SCHEMBL4758299 0.81 LMNA (0.42) LMNAPYGMPYGLALDH1A1OPRM1
SCHEMBL4755372 0.80 TSHR (0.39) LMNAALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL4758583 0.75 PYGL (0.38) LMNAPYGMPYGLALDH1A1KMT2A
SCHEMBL4758286 0.74 TSHR (0.36) LMNAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL4758254 0.71 HCAR3 (0.39) LMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL4756162 0.71 TDP1 (0.40) LMNAALDH1A1OPRM1KMT2A
SCHEMBL4084609 0.71 PRNP (0.40) LMNAPYGMPYGLALDH1A1KMT2A
SCHEMBL31412247 0.69 ELANE (0.41) LMNAALDH1A1SMN1; SMN2KMT2ANPSR1

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