SCHEMBL21390880

SCHEMBL21390880

CC(C)(C)CC(=O)CCCCc1nc2cc(Cl)c(C(C)(C)O)cc2n1C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
ACLY P53396 1/20 0.30
EP300 Q09472 1/20 0.30
RORC P51449 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
SCHEMBL21390803 0.81 CCNT1 (0.35) HDAC1CCNT1CDK9HDAC3HDAC4
SCHEMBL23132031 0.80 CYP11B2 (0.41) HDAC1AGTR1AGTR2
SCHEMBL21391108 0.78 CACNA1H (0.36) HDAC1RORC
SCHEMBL18779205 0.77 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21391171 0.77 BRD4 (0.39) HDAC1RORC
SCHEMBL21390668 0.77 HDAC1 (0.35) HDAC1CCNT1CDK9HDAC6
SCHEMBL21390680 0.76 HDAC1 (0.36) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL21391106 0.75 HDAC1 (0.37) HDAC1RORC
SCHEMBL21390845 0.75 HDAC1 (0.40) HDAC1RORC
SCHEMBL21390929 0.75 RORC (0.30) RORC

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