SCHEMBL29784696

SCHEMBL29784696

CC[C@@H]1Cc2c(F)cc(C(=O)NO)cc2CN1CC1COC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.41
HDAC1 Q13547 6/20 0.36
HDAC8 Q9BY41 4/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33

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
SCHEMBL27229701 1.00 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL27229793 1.00 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL27230058 1.00 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL29784582 1.00 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL29784712 0.88 OPRD1 (0.33)
SCHEMBL27229782 0.88 OPRD1 (0.33)
SCHEMBL29784611 0.84 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL29784672 0.84 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL29784673 0.84 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC4HDAC7
SCHEMBL29784609 0.84 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC4HDAC7

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-2022169985-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed