SCHEMBL2054307

SCHEMBL2054307

Cc1ccc(-c2ccc(F)cc2)c(C)c1C1=C(O)C2(CCOCC2)NC1O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
ABL1 P00519 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
SCHEMBL12029758 0.78 HDAC1 (0.32) HDAC1HDAC2
SCHEMBL122076 0.77 ACACB (0.41) HDAC1HDAC2
SCHEMBL30414708 0.77 ACACB (0.41) HDAC1HDAC2
SCHEMBL12029913 0.69 ACACB (0.35) HDAC1HDAC2
SCHEMBL20941357 0.69 ACACB (0.40) HDAC1HDAC2
SCHEMBL25469386 0.68 ACACB (0.41)
SCHEMBL20198184 0.68 HDAC1 (0.32) HDAC1HDAC2ABL1
SCHEMBL10079525 0.68 HDAC2 (0.34) HDAC1HDAC2
SCHEMBL12029759 0.66 PRKCZ (0.33) HDAC1HDAC2
SCHEMBL12029873 0.66 ACACB (0.32) HDAC1HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790512-A1 ACTIVE INGREDIENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES Bayer Intellectual Property GmbH (DE) 2014-10-22 EP claimed
WO-2013087709-A1 ACTIVE INGREDIENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 WO claimed
WO-2011092147-A1 METHOD TO REDUCE THE FREQUENCY AND/OR INTENSITY OF BLOSSOM-END ROT DISORDER IN HORTICULTURAL CROPS BAYER CROPSCIENCE AG (DE) 2011-08-04 WO disclosed
WO-2011076727-A2 PESTICIDAL COMPOUND MIXTURES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
WO-2011076724-A2 PESTICIDAL COMPOUND MIXTURES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed