SCHEMBL6701742

SCHEMBL6701742

O=C(O)C(F)(F)C1=CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ACMSD Q8TDX5 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
GRB2 P62993 1/20 0.31
CTSK P43235 1/20 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
HCAR2 Q8TDS4 1/20 0.30
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11138198 0.78 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL153820 0.78 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL634692 0.78 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL9458910 0.76 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL15975034 0.76 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL23507113 0.73
SCHEMBL8579139 0.73 KDM1A (0.32) HDAC4HDAC2HDAC8HDAC6
Acetic Acid SCHEMBL1867421 0.73 HDAC4 (0.35) HDAC4HDAC2HDAC8HDAC6ACMSD
Acetic Acid SCHEMBL29050641 0.73 HDAC4 (0.35) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL6555849 0.72 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004269432-A METHOD FOR PRODUCING LIQUID CRYSTALLINE COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP CHISSO CORP 2004-09-30 JP disclosed