SCHEMBL21391001

SCHEMBL21391001

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC1 Q13547 4/20 0.31
JAK1 P23458 2/20 0.31
JAK2 O60674 1/20 0.31
RORC P51449 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
SCHEMBL21390999 0.84 JAK1 (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390955 0.83 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390782 0.82 RORC (0.30) RORC
SCHEMBL21391002 0.80 CYP11B1 (0.34) ALDH1A1SMN1; SMN2RORC
SCHEMBL21390903 0.78 RORC (0.32) RORC
SCHEMBL21390907 0.78 RORC (0.32) RORC
SCHEMBL21390916 0.78 RORC (0.32) RORC
SCHEMBL21390990 0.77 RORC (0.32) RORC
SCHEMBL21390855 0.76 RORC (0.33) ALDH1A1MAPTRORC
SCHEMBL21390849 0.76 RORC (0.33) ALDH1A1MAPTRORC

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