SCHEMBL8317899

SCHEMBL8317899

COC(=O)/C(F)=C/C(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
PTGS2 P35354 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8317901 1.00 POLB (0.45) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8317595 0.81 TRPV1 (0.47) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8317590 0.81 TRPV1 (0.47) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8321332 0.80 PLK1 (0.44) POLBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8321329 0.80 PLK1 (0.44) POLBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1689720 0.73 HDAC3 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1689721 0.73 HDAC3 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1689718 0.73 HDAC3 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8319358 0.72 GRIN2D (0.40) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8319359 0.72 GRIN2D (0.40) POLBGRIN2DGRIN3BGRIN1GRIN2A

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