SCHEMBL23315864

SCHEMBL23315864

O=C(CCS)NC1C(O)OC(CO)C(O)C1O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HK2 P52789 5/20 0.48
▸ HK1 P19367 4/20 0.48
▸ PYGB P11216 7/20 0.47
▸ MAPK1 P28482 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL16129507 1.00 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL17547733 1.00 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL16129445 1.00 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL17547736 1.00 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL16129591 1.00 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL21401312 1.00 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL17547764 0.89 LMNA (0.40) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL17549300 0.89 LMNA (0.40) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL14582934 0.87 KDM4E (0.55) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL16664876 0.87 LMNA (0.55) KDM4ELMNACYP2D6CYP2C19HK2

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-2968215-B1 THIOSACCHARIDE MUCOLYTIC AGENTS UNIV CALIFORNIA (US) 2021-05-05 — — EP disclosed
Send feedback