SCHEMBL20730571

SCHEMBL20730571

CCC1OC(C(NC(=O)C(F)(F)F)C(C)Cl)C(O)C(O)C1O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2C P28335 1/20 0.35
THRB P10828 1/20 0.32

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
SCHEMBL20730565 1.00 HTR2A (0.37) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL20730592 0.88 ALB (0.37) HTR2AADRA1A
SCHEMBL20730599 0.83 GBA1 (0.33) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL20730594 0.80 PYGB (0.33)
SCHEMBL20730598 0.72 GBA1 (0.34)
SCHEMBL14410859 0.70 PYGB (0.35)
SCHEMBL19275130 0.69 HTR2A (0.76) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL20730568 0.68
SCHEMBL24299247 0.68 ALB (0.51) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL20729602 0.68 ALB (0.51) HTR2AADRA1AALDH1A1L3MBTL1HTR2C

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
WO-2019032941-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed