SCHEMBL9586183

SCHEMBL9586183

CCOc1ccc(C2CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
LTA4H P09960 2/20 0.47
DRD2 P14416 1/20 0.46
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.45
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CACNA2D1 P54289 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL12990842 0.92 ESR2 (0.53) NQO1TSHRTDP1MAOAMAOB
SCHEMBL10144013 0.92 NQO1 (0.56) NQO1TSHRTDP1MAOAMAOB
SCHEMBL10017496 0.91 NQO1 (0.50) NQO1TSHRTDP1MAOAMAOB
SCHEMBL11838572 0.91 HRH3 (0.55) NQO1TSHRTDP1MAOAMAOB
SCHEMBL10017473 0.91 NQO1 (0.50) NQO1TSHRTDP1MAOAMAOB
SCHEMBL17430686 0.91 NQO1 (0.50) NQO1TSHRTDP1MAOAMAOB
SCHEMBL8595900 0.91 NQO1 (0.50) NQO1TSHRTDP1MAOAMAOB
SCHEMBL9349628 0.91 NQO1 (0.50) NQO1TSHRTDP1MAOAMAOB
SCHEMBL8595904 0.91 SPHK1 (0.51) NQO1TSHRTDP1MAOAMAOB
SCHEMBL8595898 0.91 NQO1 (0.50) NQO1TSHRTDP1MAOAMAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179788-B1 PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-12 EP claimed
US-4777185-A Phenyl phenoxyphenyl propenyl cyclopropane pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-10-11 US claimed
EP-0179788-A1 PESTICIDES. NAT RES DEV (GB) 1986-05-07 EP claimed
WO-1985004651-A1 IMPROVEMENTS RELATING TO PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-10-24 WO claimed
CN-1087895-A Pesticidal fluoroolefins BRITISH TECH GROUP (GB) 1994-06-15 CN disclosed
US-5248834-A Pesticides BRITISH TECHNOLOGY GROUP LIMITED (GB) 1993-09-28 US disclosed
US-4777185-A Phenyl phenoxyphenyl propenyl cyclopropane pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-10-11 US disclosed
EP-0049977-B1 INSECTICIDAL (1,1'-BIPHENYL)-3-YLMETHYL ESTERS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM FMC Corporation (US) 1986-02-26 EP disclosed