SCHEMBL8943002

SCHEMBL8943002

OC[C@@H]1CCCCC[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
GBA1 P04062 2/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.32
CNR2 P34972 1/20 0.31
SI P14410 1/20 0.31

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
SCHEMBL19201526 1.00 TDP1 (0.48) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL6562442 1.00 TDP1 (0.48) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL2128168 1.00 TDP1 (0.48) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL6564377 1.00 TDP1 (0.48) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL129425 0.96 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL44781 0.96 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL130804 0.96 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL33424 0.96 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL12816270 0.96 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL130805 0.96 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1

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-0614457-B1 LEUKOTRIENE-B 4? DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS SCHERING AG (DE) 1996-08-21 EP disclosed
US-5502075-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed