SCHEMBL7957286

SCHEMBL7957286

CCOC(=O)/C=C/c1ccccc1OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.52
PTGER4 P35408 3/20 0.52
PTGER3 P43115 3/20 0.52
PTGER2 P43116 3/20 0.52
HDAC8 Q9BY41 1/20 0.52
FFAR1 O14842 6/20 0.51
FFAR4 Q5NUL3 2/20 0.51
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
HTT P42858 1/20 0.45
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL9857590 0.87 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL7809016 0.86 PTGER4 (0.70) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL7809010 0.86 PTGER4 (0.70) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL1563532 0.83 FFAR1 (0.55) FFAR1FFAR4MAPT
SCHEMBL14039572 0.83 FFAR1 (0.55) FFAR1FFAR4MAPT
SCHEMBL13921688 0.82 HTT (0.66) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL16319070 0.82 PTGER4 (0.55) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL16319072 0.82 PTGER4 (0.55) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL433576 0.80 HDAC8 (0.68) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL7907911 0.80 HDAC8 (0.68) PTGER1PTGER4PTGER3PTGER2HDAC8

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
US-6211197-B1 CARBOXYLIC ACID OR TETRAZOLE DERIVATES; ANALGESICS, ANTIPYRETICS, AND ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-03 US disclosed