SCHEMBL29516267

SCHEMBL29516267

CC(CC(=O)SCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.62
▸ HDAC2 Q92769 10/20 0.62
▸ HDAC6 Q9UBN7 9/20 0.62
▸ HDAC3 O15379 9/20 0.62
▸ HDAC10 Q969S8 8/20 0.62
▸ HDAC9 Q9UKV0 7/20 0.62
▸ HDAC8 Q9BY41 7/20 0.62
▸ HDAC4 P56524 6/20 0.62
▸ HDAC7 Q8WUI4 6/20 0.62
▸ HDAC11 Q96DB2 6/20 0.62
▸ HDAC5 Q9UQL6 6/20 0.62
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ PARP1 P09874 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ ELOVL1 Q9BW60 1/20 0.50

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
SCHEMBL24359498 0.86 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL7996639 0.86 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL24359496 0.86 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL24359367 0.85 HDAC1 (0.65) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL24359487 0.83 HDAC1 (0.69) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL24359497 0.83 HDAC1 (0.65) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL24359499 0.82 HDAC1 (0.74) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL31158395 0.82 HDAC1 (0.59) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL24359615 0.82 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL24359383 0.82 HDAC1 (0.70) HDAC1HDAC2HDAC6HDAC3HDAC10

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-2022087456-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 — — WO disclosed
Send feedback