SCHEMBL21390787

SCHEMBL21390787

CC(C)(C)CC(=O)CCCCc1nc2ccc(C3(O)COC3)nc2n1C1CCC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.30
HDAC1 Q13547 2/20 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
SCHEMBL21390950 0.80 CYP11B2 (0.36) RORCHDAC1
SCHEMBL21391130 0.79 CYP11B2 (0.38) HDAC1
SCHEMBL19276263 0.78 KCNQ3 (0.35)
SCHEMBL21391073 0.76 PDE10A (0.37)
SCHEMBL21390819 0.75 CNR2 (0.32) RORCHDAC1
SCHEMBL21390977 0.75 GBA1 (0.37)
SCHEMBL21391070 0.74 CYP11B2 (0.36) HDAC1
SCHEMBL23132031 0.74 CYP11B2 (0.41) HDAC1
SCHEMBL21391009 0.74 CYP11B2 (0.34)
SCHEMBL21390783 0.73 ACACB (0.42)

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