SCHEMBL7827706

SCHEMBL7827706

O=C(O)CCc1ccc(CCCCCc2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.69
▸ FFAR1 O14842 10/20 0.68
▸ KEAP1 Q14145 1/20 0.67
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ ADRA1A P35348 1/20 0.61
▸ HDAC4 P56524 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HDAC7 Q8WUI4 1/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ HDAC10 Q969S8 1/20 0.61
▸ HDAC11 Q96DB2 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ HDAC9 Q9UKV0 1/20 0.61
▸ HDAC5 Q9UQL6 1/20 0.61
▸ CA1 P00915 1/20 0.57

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
SCHEMBL4656973 0.94 MAPT (0.81) MAPTRXFP1FFAR1KEAP1HDAC1
SCHEMBL11424035 0.93 FFAR1 (0.71) MAPTRXFP1FFAR1KEAP1HDAC1
SCHEMBL3814880 0.91 MAPT (0.83) MAPTRXFP1FFAR1HDAC1HDAC3
SCHEMBL9671779 0.91 MAPT (0.83) MAPTRXFP1FFAR1HDAC1HDAC3
SCHEMBL69746 0.90 FFAR1 (0.81) FFAR1KEAP1HDAC1HDAC3MAPK1
SCHEMBL6286434 0.90 ALDH1A1 (0.70) MAPTFFAR1SLC6A3HSD17B10FFAR4
SCHEMBL10435207 0.90 ALDH1A1 (0.70) MAPTFFAR1SLC6A3HSD17B10FFAR4
SCHEMBL20854085 0.90 ALDH1A1 (0.70) MAPTFFAR1SLC6A3HSD17B10FFAR4
SCHEMBL11134916 0.90 MAPT (0.58) MAPTRXFP1FFAR1KEAP1HDAC1
SCHEMBL11269425 0.90 MAPT (0.58) MAPTRXFP1FFAR1KEAP1HDAC1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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