SCHEMBL8530705

SCHEMBL8530705

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.41
ALOX15 P16050 1/20 0.39
GFER P55789 1/20 0.39
ADAM17 P78536 1/20 0.39
PKM P14618 2/20 0.39
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL8530709 1.00 PDE2A (0.41) PDE2AALOX15GFERADAM17PKM
SCHEMBL8529945 0.82 HSD11B1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8529941 0.82 HSD11B1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8532211 0.82 SLC6A4 (0.43) PDE2ASLC6A4KMT2A
SCHEMBL8532199 0.82 KMT2A (0.41) SLC6A4ALDH1A1POLBMEN1KMT2A
SCHEMBL8532204 0.82 KMT2A (0.41) SLC6A4ALDH1A1POLBMEN1KMT2A
SCHEMBL8532213 0.82 SLC6A4 (0.43) PDE2ASLC6A4KMT2A
SCHEMBL8531171 0.81 ALDH1A1 (0.39) ALDH1A1KDM4E
SCHEMBL8531175 0.81 ALDH1A1 (0.39) ALDH1A1KDM4E
SCHEMBL8531475 0.76 SLC6A4 (0.39) PDE2AALOX15GFERADAM17PKM

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-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
WO-1994006741-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-03-31 WO disclosed