SCHEMBL21391167

SCHEMBL21391167

CC(C)(O)CC(=O)CCCCc1nc2ccc(OC(F)(F)F)cc2n1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
BRD4 O60885 4/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
ALOX5AP P20292 7/20 0.36
ACACB O00763 1/20 0.36
DYRK1A Q13627 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G2A P14555 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
SCHEMBL23132028 0.83 BRD4 (0.35) PPARGBRD4HDAC3HDAC4HDAC1
SCHEMBL21390681 0.80 BRD4 (0.35) PPARGBRD4HDAC3HDAC4HDAC1
SCHEMBL21391052 0.77 ACSS2 (0.36) PPARGBRD4PLA2G10PLA2G2A
SCHEMBL18791656 0.76 BRD4 (0.44) PPARGBRD4HDAC3HDAC4HDAC1
SCHEMBL21390928 0.76 HPGDS (0.36) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL21390877 0.74 CSNK1D (0.36) PPARGPDE10APDE2A
SCHEMBL21390751 0.73 CCR9 (0.32) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL21391161 0.72 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL21391045 0.71 ACLY (0.30)
SCHEMBL21391160 0.71 ACSS2 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed