SCHEMBL6682047

SCHEMBL6682047

O=C(O)CCc1ccccc1B(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 1/20 0.55
▸ KEAP1 Q14145 1/20 0.50
▸ PTGER1 P34995 3/20 0.47
▸ PTGER4 P35408 3/20 0.47
▸ PTGER3 P43115 3/20 0.47
▸ PTGER2 P43116 3/20 0.47
▸ FFAR1 O14842 9/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ FFAR4 Q5NUL3 3/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL29670238 1.00 LIPG (0.55) LIPGKEAP1PTGER1PTGER4PTGER3
SCHEMBL634254 0.87 LIPG (0.64) LIPGHDAC3MAPK1ADRA1AHDAC4
SCHEMBL59198 0.81 KEAP1 (0.65) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3665652 0.80 LIPG (0.50) LIPGSMN1; SMN2
SCHEMBL2558811 0.80 AKR1B1 (0.57) LIPGADRA1A
SCHEMBL878984 0.78 KEAP1 (0.56) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL29670134 0.77 LIPG (0.70) LIPG
SCHEMBL466443 0.77 LIPG (0.70) LIPG
SCHEMBL18920823 0.77 CYSLTR2 (0.55) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL323867 0.76 NPSR1 (0.61) KEAP1PTGER1PTGER4PTGER3PTGER2

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
WO-2004056798-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2004-07-08 — — WO disclosed
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