SCHEMBL9692177

SCHEMBL9692177

CC1CC(O)CCC(O)C(O)CC(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9265710 0.81
SCHEMBL9269730 0.81
SCHEMBL9266325 0.81
SCHEMBL8052993 0.81
SCHEMBL2686685 0.81
SCHEMBL9691290 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA9THRBALOX15
SCHEMBL9690014 0.74 SMN1; SMN2 (0.40) SMN1; SMN2CA1CA9MEN1KMT2A
SCHEMBL19562477 0.73 CA1 (0.50) SMN1; SMN2CA1CA9THRBMEN1
Cepharosporolides C SCHEMBL29886206 0.73 CA1 (0.55) SMN1; SMN2CA1CA9THRBALOX15
SCHEMBL29416332 0.69 PPARG (0.48) SMN1; SMN2CA1CA9THRBALOX15

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-0516015-A1 Substituted decarestrictines, methods for their preparation and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed