SCHEMBL8529941

SCHEMBL8529941

COC(=O)/C(F)=C/C1(c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
RORC P51449 2/20 0.35
OPRM1 P35372 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8529945 1.00 HSD11B1 (0.35) HSD11B1RORCOPRM1SMN1; SMN2ALDH1A1
SCHEMBL8531175 0.87 ALDH1A1 (0.39) HSD11B1OPRM1SMN1; SMN2ALDH1A1
SCHEMBL8531171 0.87 ALDH1A1 (0.39) HSD11B1OPRM1SMN1; SMN2ALDH1A1
SCHEMBL8532213 0.82 SLC6A4 (0.43) KMT2A
SCHEMBL8532204 0.82 KMT2A (0.41) SMN1; SMN2ALDH1A1MAPTMEN1NPC1
SCHEMBL8532211 0.82 SLC6A4 (0.43) KMT2A
SCHEMBL8530705 0.82 PDE2A (0.41) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL8530709 0.82 PDE2A (0.41) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL8532199 0.82 KMT2A (0.41) SMN1; SMN2ALDH1A1MAPTMEN1NPC1
SCHEMBL8535754 0.80 HDAC3 (0.37) SMN1; SMN2ALDH1A1MAPTNPC1HTT

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-5763700-A INSECTICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-06-09 US disclosed
EP-0660815-B1 PESTICIDAL FLUOROOLEFINS BRITISH TECH GROUP (GB) 1997-04-16 EP disclosed
EP-0660815-A1 PESTICIDAL FLUOROOLEFINS. BRITISH TECNOLOGY GROUP PLC (GB) 1995-07-05 EP disclosed
WO-1994006741-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-03-31 WO disclosed