SCHEMBL7045221

SCHEMBL7045221

O=C(CCCOc1cccc(-c2ccc(F)cc2)c1)NOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.55
▸ FFAR4 Q5NUL3 2/20 0.53
▸ MGLL Q99685 1/20 0.49
▸ FFAR1 O14842 1/20 0.49
▸ HDAC1 Q13547 5/20 0.48
▸ HDAC2 Q92769 5/20 0.48
▸ GPR34 Q9UPC5 2/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC4 P56524 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ LTB4R Q15722 1/20 0.44
▸ NR4A2 P43354 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
SCHEMBL7047874 0.86 MMP3 (0.50) FFAR4FFAR1HDAC1HDAC2GPR34
SCHEMBL7045826 0.81 HDAC1 (0.58) MRGPRX4FFAR4FFAR1HDAC1HDAC2
SCHEMBL7044314 0.81 HDAC3 (0.49) HDAC1HDAC2HDAC8HDAC6HPGD
SCHEMBL7048468 0.78 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6HDAC4
SCHEMBL7047498 0.76 HDAC1 (0.68) FFAR4FFAR1HDAC1HDAC2HDAC8
SCHEMBL7042844 0.75 HDAC2 (0.58) FFAR1HDAC1HDAC2HDAC8HDAC6
SCHEMBL9191952 0.74 HDAC3 (0.71) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7046130 0.73 FFAR4 (0.78) FFAR4FFAR1HDAC1HDAC2HDAC8
SCHEMBL6763786 0.72 HDAC3 (0.74) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7044760 0.72 HDAC1 (0.74) HDAC1HDAC2HDAC8HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 — — EP disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 — — EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 — — US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 — — WO disclosed
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