SCHEMBL4757333

SCHEMBL4757333

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
ATM Q13315 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CCR2 P41597 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOTUM Q6P988 1/20 0.33
ELANE P08246 1/20 0.33

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) OPRM1ALDH1A1TSHRKMT2ACYP2C19
SCHEMBL4757340 0.86 NOTUM (0.34) CCR2NOTUM
SCHEMBL4758337 0.86 HSD11B1 (0.36) OPRM1CCR2TSHRAKR1B1NOTUM
SCHEMBL4758254 0.84 HCAR3 (0.39) ALDH1A1CCR2SMN1; SMN2TSHRHPGD
SCHEMBL4758286 0.81 TSHR (0.36) ALDH1A1SMN1; SMN2TSHRNOTUM
SCHEMBL4758583 0.80 PYGL (0.38) GAAALDH1A1TSHRKMT2AAKR1B1
SCHEMBL4757355 0.78 PYGM (0.39) GAAALDH1A1CYP2C19NOTUM
SCHEMBL4756162 0.76 TDP1 (0.40) OPRM1ALDH1A1CCR2TSHRKMT2A
SCHEMBL4756152 0.72 LMNA (0.33) OPRM1ALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL4758585 0.69 FPR2 (0.37) ALDH1A1CCR2SMN1; SMN2TSHRKMT2A

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