SCHEMBL24893407

SCHEMBL24893407

CCC(=O)Nc1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.46
MMP2 P08253 2/20 0.46
MMP8 P22894 2/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP9 P14780 1/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL24893490 0.87 MMP13 (0.49) MMP13MMP2MMP8MMP9
SCHEMBL24893418 0.86 RAB9A (0.47) HTTRAB9ASMN1; SMN2
SCHEMBL24893409 0.82 ACACB (0.50) HTT
SCHEMBL24893406 0.79 ADK (0.46)
SCHEMBL24893376 0.79 HTT (0.55) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL4606051 0.79 HNF4A (0.54) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL24893400 0.79 SHMT2 (0.39) RAB9ASMN1; SMN2
SCHEMBL26098043 0.78 MMP2 (0.50) MMP13MMP2MMP8HTTMMP9
SCHEMBL24893399 0.78 NPC1 (0.43) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL24893377 0.77 HTT (0.42) HTTSMN1; SMN2

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
WO-2023285371-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT HAMBURG (DE) 2023-01-19 WO disclosed
EP-4119138-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS Universität Hamburg (DE) 2023-01-18 EP disclosed