SCHEMBL25733687

SCHEMBL25733687

NCC(=O)Nc1ccc(C(=O)O)nc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 15/20 0.58
▸ HDAC3 O15379 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ LTA4H P09960 1/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ P4HA1 P13674 1/20 0.46
▸ MIF P14174 1/20 0.46
▸ TERT O14746 1/20 0.45

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
SCHEMBL3631360 0.83 P4HTM (0.58) P4HTMHDAC3HDAC1HDAC8HDAC4
SCHEMBL8148873 0.78 P4HTM (0.59) P4HTMLTA4HCA1CA2P4HA1
SCHEMBL9317180 0.78 P4HTM (0.53) P4HTMHDAC3HDAC1HDAC8HDAC4
SCHEMBL18653618 0.78 NPSR1 (0.50) HDAC3HDAC1LTA4HCA1CA2
SCHEMBL3621493 0.77 P4HTM (0.63) P4HTMP4HA1MIF
SCHEMBL9621696 0.77 P4HTM (0.57) P4HTMP4HA1MIF
SCHEMBL30826511 0.76 P4HTM (0.61) P4HTMHDAC3HDAC1HDAC8HDAC4
SCHEMBL28500470 0.76 P4HTM (0.61) P4HTMHDAC3HDAC1HDAC8HDAC4
SCHEMBL3621496 0.74 P4HTM (0.59) P4HTMP4HA1MIF
SCHEMBL26049197 0.74 P4HTM (0.62) P4HTMP4HA1MIF

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
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 — — EP disclosed
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