SCHEMBL8317595

SCHEMBL8317595

COC(=O)C(F)=CC(C)(C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.47
EPHX2 P34913 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HPGD P15428 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
POLB P06746 1/20 0.38
PDE2A O00408 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GCGR P47871 1/20 0.37

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
SCHEMBL8317590 1.00 TRPV1 (0.47) TRPV1EPHX2NR1H4HDAC3HDAC1
SCHEMBL8321329 0.82 PLK1 (0.44) EPHX2NR1H4HPGDNPC1RAB9A
SCHEMBL8321332 0.82 PLK1 (0.44) EPHX2NR1H4HPGDNPC1RAB9A
SCHEMBL8317901 0.81 POLB (0.45) NPC1RAB9AALDH1A1KMT2AGAA
SCHEMBL8317899 0.81 POLB (0.45) NPC1RAB9AALDH1A1KMT2AGAA
SCHEMBL8321000 0.75 MAOB (0.43) TRPV1EPHX2NR1H4HDAC3HDAC1
SCHEMBL8320991 0.75 MAOB (0.43) TRPV1EPHX2NR1H4HDAC3HDAC1
SCHEMBL8318555 0.74 TRPV1 (0.47) TRPV1EPHX2NR1H4HDAC3HDAC1
SCHEMBL8318493 0.74 EPHX2 (0.41) TRPV1EPHX2NR1H4HDAC3HDAC1
SCHEMBL8318490 0.74 EPHX2 (0.41) TRPV1EPHX2NR1H4HDAC3HDAC1

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