SCHEMBL5279461

SCHEMBL5279461

O=C(O)COC1=COC(Cc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
PAM P19021 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.37
PTPN7 P35236 2/20 0.36
FFAR1 O14842 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
PTPN12 Q05209 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL5007271 0.86 KDM4E (0.37) L3MBTL1POLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL2926028 0.85 HDAC3 (0.41) SMN1; SMN2FFAR1ALDH1A1MAPT
SCHEMBL74038 0.78
Hydrochloric Acid SCHEMBL5009250 0.78 SPHK2 (0.37) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3524878 0.75 SLC6A2 (0.32)
SCHEMBL1698739 0.74 AKR1B1 (0.46) PAMFFAR1AKR1B1
SCHEMBL230546 0.73 CTRB1 (0.36) AKR1B1
SCHEMBL5359874 0.73 MAPK8 (0.43) L3MBTL1SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL6474578 0.72 P2RX7 (0.33) ALDH1A1KDM4E
SCHEMBL1656726 0.72 POLB (0.45) POLBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857440-A1 Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2007-11-21 EP disclosed