SCHEMBL29044161

SCHEMBL29044161

C=CCOC(=O)[C@@H]1OC(O)C(O)C(O)C1O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDUA P35475 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL14584179 1.00 CYP3A4 (0.33) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL4096506 1.00 CYP3A4 (0.33) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL2152162 1.00 CYP3A4 (0.33) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL19155610 0.83 FUCA1 (0.33) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL712837 0.79 CYP3A4 (0.39) CYP3A4TSHRPOLBMAPK1GAA
SCHEMBL28475631 0.78 LGALS3 (0.33) IDUA
SCHEMBL2189191 0.77 TSHR (0.45) TSHR
SCHEMBL2189182 0.77 TSHR (0.45) TSHR
SCHEMBL28214269 0.77 AHCY (0.34) IDUA
SCHEMBL14614369 0.76 POLB (0.32) CYP3A4TSHRPOLBMAPK1

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
CN-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN disclosed