SCHEMBL23969042

SCHEMBL23969042

CCC(=O)NC[C@H](OC1CCOCC1)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
ACACB O00763 11/20 0.44
ACACA Q13085 8/20 0.43
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41

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
SCHEMBL23968987 0.91 PDE4D (0.44) ACACBACACA
SCHEMBL23969218 0.83 ACACB (0.41) ACACBACACAKAT2BBAZ2B
SCHEMBL18908171 0.81 ACACB (0.44) ACACBACACA
SCHEMBL23969272 0.81 ACACB (0.42) ACACBACACAKAT2BBAZ2B
SCHEMBL23968963 0.81 ACACB (0.42) ACACBACACAKAT2BBAZ2B
SCHEMBL29700513 0.80 ACACB (0.47) ACACBACACA
SCHEMBL14945397 0.80 ACACB (0.47) ACACBACACA
SCHEMBL29642175 0.80 ACACB (0.47) ACACBACACA
SCHEMBL21816549 0.80 ACACB (0.47) ACACBACACA
SCHEMBL14945398 0.80 ACACB (0.47) ACACBACACA

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-3904357-A1 SPIRO COMPOUND AND MEDICAL USES THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2021-11-03 EP disclosed