SCHEMBL44781

SCHEMBL44781

OCC1CCCC[C@@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PABPC1 P11940 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
GBA1 P04062 6/20 0.37
TSHR P16473 1/20 0.35
SI P14410 1/20 0.32
PYGL P06737 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
GAA P10253 1/20 0.32
GLB1 P16278 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL33424 1.00 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL12816270 1.00 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL129425 1.00 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL130804 1.00 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL130805 1.00 TDP1 (0.50) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL8943002 0.96 TDP1 (0.48) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL19201526 0.96 TDP1 (0.48) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL6564377 0.96 TDP1 (0.48) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL2128168 0.96 TDP1 (0.48) TDP1PABPC1APOBEC3AAPOBEC3GCA1
SCHEMBL6562442 0.96 TDP1 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611279-B2 Zinc complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-04-04 US disclosed
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed
WO-2007001282-A2 LOW MOLECULAR WEIGHT POLYGLUCOSAMINES AND POLYGALACTOSAMINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-01-04 WO disclosed