SCHEMBL29636803

SCHEMBL29636803

CC(C)(C)OC(=O)NCCCNc1cc(-c2ccc(-n3cc4c(n3)CN(C(=O)OC(C)(C)C)C4)cc2)nc2ccccc12.NCCCNc1cc(-c2ccc(-n3cc4c(n3)CNC4)cc2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 15/20 0.42
ACACB O00763 3/20 0.37
ACACA Q13085 2/20 0.37

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
SCHEMBL23015287 0.92 ACACB (0.41) ACP1ACACBACACA
SCHEMBL29636795 0.92 ACACB (0.41) ACP1ACACBACACA
SCHEMBL29636820 0.83 SLC2A1 (0.48) ACP1
SCHEMBL23015180 0.83 SLC2A1 (0.48) ACP1
SCHEMBL29636838 0.75 SMYD3 (0.39) ACACBACACA
SCHEMBL23015253 0.75 SMYD3 (0.39) ACACBACACA
SCHEMBL23015198 0.71 ACP1 (0.44) ACP1
SCHEMBL29636840 0.71 ACP1 (0.44) ACP1
SCHEMBL26967672 0.70 SLC34A1 (0.41)
SCHEMBL23015387 0.69 ACP1 (0.58) ACP1

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-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed