SCHEMBL8035494

SCHEMBL8035494

CCOC(=O)CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
TBXAS1 P24557 3/20 0.46
NAMPT P43490 1/20 0.46
ALOX5 P09917 1/20 0.46
TOP2A P11388 1/20 0.45
FAAH O00519 2/20 0.44
GAA P10253 1/20 0.43
LTA4H P09960 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL28633333 0.87 SMN1; SMN2 (0.56) CYP4F2CYP4A11SMN1; SMN2ALDH1A1POLB
SCHEMBL8050248 0.84 SMN1; SMN2 (0.48) CYP4F2CYP4A11SMN1; SMN2ALDH1A1POLB
SCHEMBL11140576 0.82 SMN1; SMN2 (0.49) CYP4F2CYP4A11SMN1; SMN2ALDH1A1POLB
SCHEMBL8044856 0.82 OPRM1 (0.48) CYP4F2CYP4A11SMN1; SMN2ALDH1A1POLB
SCHEMBL8049892 0.82 OPRM1 (0.48) CYP4F2CYP4A11SMN1; SMN2ALDH1A1POLB
SCHEMBL27899326 0.81 KIF11 (0.44) CYP3A4TDP1
SCHEMBL31534031 0.81 SMN1; SMN2 (0.45) CYP4F2CYP4A11SMN1; SMN2ALDH1A1POLB
SCHEMBL8046235 0.80 OPRM1 (0.49) CYP4F2CYP4A11SMN1; SMN2ALDH1A1POLB
Bromide SCHEMBL1634340 0.80 KIF11 (0.43) CYP3A4TDP1
SCHEMBL27577126 0.80 KIF11 (0.46) CYP3A4TDP1

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-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed