SCHEMBL5574641

SCHEMBL5574641

CC(CCCCCCCC/C=C\CCCCCCCC(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ APEX1 P27695 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 3/20 0.46
▸ F7 P08709 5/20 0.43
▸ F3 P13726 5/20 0.43
▸ CYP19A1 P11511 3/20 0.43
▸ PPARG P37231 3/20 0.43
▸ PPARD Q03181 3/20 0.43
▸ PPARA Q07869 3/20 0.43

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
SCHEMBL10409030 0.85 POLB (0.57) ALDH1A1HSD17B10KDM4ECYP3A4HPGD
SCHEMBL21685881 0.81 POLB (0.67) ALDH1A1HSD17B10KDM4ECYP3A4HPGD
SCHEMBL5574642 0.78 HDAC8 (0.59) ALDH1A1HSD17B10HPGDMAPK1TDP1
SCHEMBL5574643 0.78 HDAC8 (0.59) ALDH1A1HSD17B10HPGDMAPK1TDP1
SCHEMBL21959256 0.78 HDAC8 (0.59) ALDH1A1HSD17B10HPGDMAPK1TDP1
SCHEMBL7395617 0.75 TDP1 (0.54) ALDH1A1HSD17B10KDM4ECYP3A4HPGD
SCHEMBL8895234 0.74 TDP1 (0.50) ALDH1A1HSD17B10KDM4ECYP3A4HPGD
SCHEMBL13455143 0.74 TDP1 (0.53) ALDH1A1HSD17B10KDM4ECYP3A4HPGD
Linoleic Acid SCHEMBL27850562 0.74 PPARG (0.72) ALDH1A1HSD17B10KDM4ECYP3A4HPGD
SCHEMBL5277177 0.73 TDP1 (0.56) ALDH1A1HSD17B10KDM4ECYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755684-B1 ALBUMIN-BINDING CONJUGATES COMPRISING A FATTY ACID AND PEG UCB BIOPHARMA SPRL (BE) 2016-08-31 — — EP disclosed
EP-1755684-A2 ALBUMIN-BINDING CONJUGATES COMPRISING A FATTY ACID AND PEG Celltech R&D Limited (GB) 2007-02-28 — — EP disclosed
WO-2005117984-A2 ALBUMIN-BINDING CONJUGATES COMPRISING A FATTY ACID AND PEG CELLTECH R & D LIMITED (GB) 2005-12-15 — — WO disclosed
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