SCHEMBL6708190

SCHEMBL6708190

[CH2]CC(Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
PSMB5 P28074 1/20 0.46
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CASP1 P29466 2/20 0.44
KMT2A Q03164 5/20 0.44
HSD17B10 Q99714 2/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6707311 0.84 TSHR (0.47) PSMB5ALDH1A1KDM4EHPGDTDP1
SCHEMBL9667031 0.81 CASP1 (0.48) MRGPRX4PSMB5ALDH1A1KDM4EHPGD
SCHEMBL6447325 0.78 CASP1 (0.48) MRGPRX4PSMB5ALDH1A1KDM4EHPGD
SCHEMBL5491112 0.76 PSMB5 (0.46) MRGPRX4PSMB5ALDH1A1KDM4EHPGD
SCHEMBL10595010 0.75 HSD17B10 (0.54) MRGPRX4ALDH1A1KDM4EHPGDTDP1
SCHEMBL6708065 0.74 CYP1A2 (0.51) MRGPRX4ALDH1A1KDM4EHPGDTDP1
SCHEMBL6447676 0.74 TACR1 (0.48) KDM4ETDP1CASP1KMT2AMEN1
SCHEMBL6446149 0.73 CASP1 (0.47) MRGPRX4PSMB5ALDH1A1KDM4EHPGD
SCHEMBL6446143 0.73 CASP1 (0.47) MRGPRX4PSMB5ALDH1A1KDM4EHPGD
SCHEMBL3051266 0.72 ALDH1A1 (0.65) MRGPRX4ALDH1A1KDM4EHPGDTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed