SCHEMBL4755316

SCHEMBL4755316

CCN1C(C)=C(C(=O)O)C(CC)(c2ccccc2F)C(C(=O)O)=C1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 3/20 0.35
PYGM P11217 5/20 0.34
PYGL P06737 4/20 0.34
RECQL P46063 1/20 0.33
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 4/20 0.32
GAA P10253 1/20 0.32
HDAC4 P56524 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MEN1 O00255 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
SCHEMBL4089394 0.83 APP (0.41) LMNARECQLKMT2AHTTALDH1A1
SCHEMBL4758299 0.81 LMNA (0.42) HCAR2LMNAPYGMPYGLKMT2A
SCHEMBL4755372 0.80 TSHR (0.39) LMNAKMT2AGAATSHRALDH1A1
SCHEMBL9832820 0.80 LMNA (0.30) LMNAPYGMPYGL
SCHEMBL4758577 0.79 TSHR (0.36) LMNAPYGMPYGLNOTUMKMT2A
SCHEMBL4757320 0.74 HCAR2 (0.39) HCAR2LMNANOTUMGAATSHR
SCHEMBL4758273 0.72 CNR1 (0.39) LMNAKMT2AGAAALDH1A1CNR1
SCHEMBL4084609 0.71 PRNP (0.40) LMNAPYGMPYGLKMT2AALDH1A1
SCHEMBL5533759 0.70 KDM4E (0.39) LMNAKMT2AGAATSHRHTT
SCHEMBL4758575 0.69 OPRM1 (0.39) NOTUMTSHR

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