SCHEMBL30850797

SCHEMBL30850797

C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(OC3CCCC3)cc2)no1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.51
PPARD Q03181 10/20 0.51
PPARA Q07869 10/20 0.51
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 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
SCHEMBL30850805 0.93 ACACB (0.47) ACACBPPARDPPARAHDAC4HDAC6
SCHEMBL19311800 0.83 TP53 (0.60) ACACBPPARDPPARA
SCHEMBL16091833 0.82 PPARD (0.53) ACACBPPARDPPARA
SCHEMBL16043500 0.82 KMT2A (0.61) ACACBPPARDPPARALMNA
SCHEMBL16043499 0.82 KMT2A (0.61) ACACBPPARDPPARALMNA
SCHEMBL24660430 0.82 PPARD (0.52) ACACBPPARDPPARA
SCHEMBL29485563 0.82 TDP1 (0.61) ACACBPPARDPPARAMAPT
SCHEMBL24660475 0.82 KCNT1 (0.49) ACACBPPARDPPARAHDAC6
SCHEMBL16091834 0.80 HDAC4 (0.51) ACACBPPARDPPARAHDAC4HDAC6
SCHEMBL24660611 0.80 KCNT1 (0.58) HDAC4HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4602037-A1 METHOD FOR INHIBITING CLOSTRIDIOIDES DIFFICILE SPORE GERMINATION University of Notre Dame du Lac (US) 2025-08-20 EP disclosed
WO-2024081885-A1 METHOD FOR INHIBITING CLOSTRIDIOIDES DIFFICILE SPORE GERMINATION UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-04-18 WO disclosed