SCHEMBL8459344

SCHEMBL8459344

CCOC(=O)C=CCC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.46
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
MDM2 Q00987 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL8459343 1.00 HCAR2 (0.52) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL22734091 0.84 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL11702437 0.83 NPSR1 (0.43) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL11702432 0.83 NPSR1 (0.43) HCAR2MAPTALDH1A1TTRDPP4
Hydrochloric Acid SCHEMBL29911009 0.82 MAPT (0.47) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL8152585 0.82 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL5643847 0.82 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL7021082 0.80 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL12710484 0.80 MAPT (0.58) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL7701708 0.80 MAPT (0.45) HCAR2MAPTALDH1A1TTRDPP4

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-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 US disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 EP disclosed
EP-0802730-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 WO disclosed