SCHEMBL27431735

SCHEMBL27431735

CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C(N)CCc1nc2cc(N(CCCl)CCCl)ccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ ABCB11 O95342 1/20 0.35

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
SCHEMBL24754637 1.00 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184643 0.99 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184639 0.99 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL24755692 0.95 HDAC3 (0.46) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL29184592 0.95 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL24754865 0.95 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184614 0.95 HDAC3 (0.46) HDAC6HDAC1HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184611 0.95 HDAC3 (0.46) HDAC6HDAC1HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184729 0.94 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL30807123 0.94 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC2

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-2024121379-A1 NOVEL THERAPEUTIC COMBINATIONS ONCOPEPTIDES INNOVATION AB (SE) 2024-06-13 — — WO disclosed
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