SCHEMBL22100208

SCHEMBL22100208

CC1CC(O)C(=O)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 10/20 0.35
MAOB P27338 5/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
STAT3 P40763 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
SCHEMBL165377 0.76
SCHEMBL232454 0.64
SCHEMBL15038028 0.64
SCHEMBL8052993 0.64
SCHEMBL13120286 0.64 KMT2A (0.48) SMN1; SMN2KDM4EMAPTCA1CA9
SCHEMBL14899529 0.64 KMT2A (0.48) SMN1; SMN2KDM4EMAPTCA1CA9
SCHEMBL2686685 0.64
SCHEMBL21154063 0.64 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL19215282 0.64 KMT2A (0.40) SMN1; SMN2KDM4EMAPTCA1CA9
SCHEMBL9266325 0.64

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-3341334-B1 SOLID STATE BINDER ROCKWOOL INT (DK) 2020-06-17 EP disclosed