SCHEMBL21391052

SCHEMBL21391052

CC(O)(CC(=O)CCCc1nc2ccc(OC(F)F)cc2n1C(C)(C)C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 13/20 0.36
PPARG P37231 3/20 0.34
GRM2 Q14416 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL21390681 0.88 BRD4 (0.35) PPARGGRM2PLA2G10PLA2G2ABRD4
SCHEMBL23132028 0.85 BRD4 (0.35) PPARGPLA2G10PLA2G2ABRD4
SCHEMBL21391179 0.85 ACSS2 (0.33) ACSS2PPARGGRM2
SCHEMBL21390928 0.83 HPGDS (0.36)
SCHEMBL21390820 0.82 ACSS2 (0.33) ACSS2PPARG
SCHEMBL21391160 0.81 ACSS2 (0.38) ACSS2
SCHEMBL21391173 0.80 ACSS2 (0.36) ACSS2
SCHEMBL21354556 0.80 ACSS2 (0.42) ACSS2
SCHEMBL21390993 0.77 HTT (0.31) ACSS2
SCHEMBL21391167 0.77 PPARG (0.40) PPARGPLA2G10PLA2G2ABRD4

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