SCHEMBL29953600

SCHEMBL29953600

OB(O)c1cnc(OC2CCCC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.37
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33

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
SCHEMBL29956304 0.98 ACACB (0.36) ACACBPDGFRBPDGFRA
SCHEMBL16416029 0.96 ACACB (0.40) ACACB
SCHEMBL29950800 0.78 ACACB (0.42) ACACB
SCHEMBL3574281 0.77 ACACB (0.41) ACACBPDGFRBPDGFRA
SCHEMBL623325 0.76 ACACB (0.40) ACACBPDGFRBPDGFRA
SCHEMBL164350 0.75 HMOX1 (0.42) ACACBPDGFRBPDGFRA
SCHEMBL22396859 0.75 ACACB (0.41) ACACB
SCHEMBL21284493 0.74 LIPE (0.39) ACACBPDGFRBPDGFRA
SCHEMBL16691214 0.73 HMOX1 (0.41) ACACBPDGFRBPDGFRA
SCHEMBL841376 0.73 HCAR3 (0.45) ACACB

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed