SCHEMBL4756140

SCHEMBL4756140

COCC1=C(C(=O)O)C(C)(c2ccccc2Cl)C(C(=O)O)=C(COC)N1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TP53 P04637 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
NR4A2 P43354 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
CTBP2 P56545 1/20 0.32
RIPK1 Q13546 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7154241 0.78 HTR1A (0.38) KDM4EGAA
SCHEMBL9220076 0.73 PYGL (0.32) TP53HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL3027396 0.73 TSHR (0.43) TP53HPGDALDH1A1KDM4EGLA
SCHEMBL6825360 0.72 HTR1A (0.37) CRHBPCRHR2
SCHEMBL30516327 0.70 PYGL (0.34)
SCHEMBL30656597 0.69 HTR1A (0.39)
SCHEMBL3393583 0.69 TSHR (0.40) CRHBPCRHR2TP53HPGDALDH1A1
SCHEMBL5444348 0.67 LMNA (0.38) ALDH1A1KDM4EGLAGAAATM
SCHEMBL2365028 0.63 TSHR (0.37) CRHBPCRHR2TP53HPGDALDH1A1
SCHEMBL4757323 0.63 SMN1; SMN2 (0.40) TP53HTTHPGDALDH1A1KDM4E

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