SCHEMBL8041718

SCHEMBL8041718

O=C(Cl)C1=CC(Cl)CCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.41
HDAC4 P56524 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL8041722 0.83 OAT (0.60) OAT
SCHEMBL11229629 0.70
SCHEMBL2559392 0.69
SCHEMBL875270 0.67
SCHEMBL10500005 0.65 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL16274384 0.65 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL16965558 0.64
SCHEMBL6784338 0.64 LMNA (0.38)
SCHEMBL28898372 0.61
SCHEMBL8674905 0.60

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
EP-0728750-B1 1-Cycloalkenyltetrazolinones BAYER AGROCHEM KK (JP) 2000-05-17 EP disclosed
US-5654257-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1997-08-05 US disclosed
EP-0728750-A1 1-Cycloalkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-08-28 EP disclosed