SCHEMBL8422011

SCHEMBL8422011

C=CCc1cc(Br)ccc1OCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 3/20 0.49
PABPC1 P11940 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.49
PTGDR Q13258 1/20 0.49
ALDH1A1 P00352 7/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
PTPN1 P18031 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
CASP6 P55212 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL13903612 0.84 PTGDR2 (0.67) L3MBTL1MAPK1POLBPABPC1APOBEC3A
SCHEMBL13903614 0.83 PTGDR2 (0.50) L3MBTL1MAPK1POLBPABPC1APOBEC3A
SCHEMBL5098541 0.81 ALDH1A1 (0.56) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL16559854 0.81 ALDH1A1 (0.55) L3MBTL1MAPK1POLBPABPC1APOBEC3A
SCHEMBL4517104 0.79 MEN1 (0.57) MAPK1POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL1853131 0.79 PTGDR2 (0.53) MAPK1POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL1991699 0.79 ALDH1A1 (0.50) MAPK1POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL1991697 0.79 POLB (0.46) L3MBTL1MAPK1POLBPABPC1APOBEC3A
SCHEMBL27642138 0.78 ALDH1A1 (0.52) L3MBTL1POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL1991262 0.77 PTGDR2 (0.68) L3MBTL1MAPK1POLBPABPC1APOBEC3A

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed