SCHEMBL8320033

SCHEMBL8320033

CCOc1ccc(C(/C=C(\F)CO)C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
NQO1 P15559 1/20 0.38
ACACB O00763 10/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
LTA4H P09960 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8320036 1.00 HPGD (0.40) HPGDLMNANQO1ACACBALDH1A1
SCHEMBL8318340 0.83 ALDH1A1 (0.47) HPGDLMNAACACBALDH1A1MEN1
SCHEMBL8318344 0.83 ALDH1A1 (0.47) HPGDLMNAACACBALDH1A1MEN1
SCHEMBL8322276 0.80 HPGD (0.44) HPGDLMNAACACB
SCHEMBL8322272 0.80 HPGD (0.44) HPGDLMNAACACB
SCHEMBL9617380 0.71 HRH3 (0.50) HPGDLMNANQO1ACACBALDH1A1
SCHEMBL4240109 0.68 NQO1 (0.50) HPGDLMNANQO1ACACBALDH1A1
SCHEMBL3632750 0.68 NQO1 (0.50) HPGDLMNANQO1ACACBALDH1A1
SCHEMBL8531549 0.68 NQO1 (0.41) NQO1ALDH1A1LTA4HMEN1KMT2A
SCHEMBL8753240 0.68 OPRL1 (0.35) HTTMEN1KMT2A

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-5880162-A INSECTICIDES FOR SOIL BORNE INSECT PESTS BRITISH TECHNOLOGY GROUP, LTD. (GB) 1999-03-09 US disclosed
EP-0757668-A1 PESTICIDAL FLUOROOLEFINS British Technology Group Ltd. (GB) 1997-02-12 EP disclosed
WO-1995029887-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-09 WO disclosed