SCHEMBL4757355

SCHEMBL4757355

CCN1C(C)=C(C(=O)O)C(CC)(c2ccccc2Cl)C(C(=O)O)=C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 8/20 0.39
PYGL P06737 7/20 0.39
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
NOTUM Q6P988 1/20 0.33
HDAC4 P56524 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
CNR1 P21554 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL4758577 0.90 TSHR (0.36) PYGMPYGLCRHBPCRHR2ALDH1A1
SCHEMBL4757320 0.84 HCAR2 (0.39) ALDH1A1GAALMNANOTUMTHRB
SCHEMBL4755316 0.84 HCAR2 (0.36) PYGMPYGLALDH1A1GAALMNA
SCHEMBL4089394 0.83 APP (0.41) ALDH1A1LMNAHTT
SCHEMBL3395257 0.82 MEN1 (0.41) ALDH1A1CNR1
SCHEMBL4758299 0.81 LMNA (0.42) PYGMPYGLALDH1A1LMNACYP2C19
SCHEMBL5533759 0.80 KDM4E (0.39) GRIN1GRIN2AGRIN2BALDH1A1GAA
SCHEMBL30678530 0.80 TSHR (0.39) ALDH1A1GAALMNA
SCHEMBL9832820 0.80 LMNA (0.30) PYGMPYGLLMNA
SCHEMBL4755372 0.80 TSHR (0.39) ALDH1A1GAALMNA

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