SCHEMBL25048652

SCHEMBL25048652

CC(C)(C)OC(=O)N(CCCN)CCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 6/20 0.47
ACHE P22303 4/20 0.44
LPAR1 Q92633 2/20 0.43
LPAR5 Q9H1C0 1/20 0.43
PTGES O14684 1/20 0.42

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
SCHEMBL30941261 1.00 FDFT1 (0.47) FDFT1ACHELPAR1LPAR5PTGES
SCHEMBL30940803 0.90 FDFT1 (0.47) FDFT1ACHELPAR1LPAR5PTGES
SCHEMBL25047672 0.90 FDFT1 (0.47) FDFT1ACHELPAR1LPAR5PTGES
SCHEMBL31618024 0.90 PPARG (0.47) LPAR1LPAR5
SCHEMBL25047908 0.89 FDFT1 (0.47) FDFT1ACHELPAR1LPAR5PTGES
SCHEMBL30940776 0.87 MC5R (0.46)
SCHEMBL31617953 0.85 FDFT1 (0.46) FDFT1LPAR1LPAR5PTGES
SCHEMBL25047373 0.85 FDFT1 (0.44) FDFT1ACHELPAR1LPAR5PTGES
SCHEMBL31618057 0.85 FDFT1 (0.43) FDFT1ACHELPAR1LPAR5PTGES
SCHEMBL25046550 0.83 MC3R (0.54)

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 WO disclosed