SCHEMBL20730592

SCHEMBL20730592

CCC1O[C@H]([C@H](NC(=O)C(F)(F)F)[C@@H](C)O)C(O)C(O)[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL20730571 0.88 HTR2A (0.37) HTR2AADRA1A
SCHEMBL20730565 0.88 HTR2A (0.37) HTR2AADRA1A
SCHEMBL20730598 0.82 GBA1 (0.34) ALBLMNACYP2C9
SCHEMBL20730594 0.81 PYGB (0.33)
SCHEMBL24299247 0.79 ALB (0.51) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL26332859 0.79 ALB (0.51) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL20729602 0.79 ALB (0.51) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL14194247 0.79 ALB (0.51) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL20730599 0.72 GBA1 (0.33) HTR2AADRA1A
SCHEMBL14410859 0.71 PYGB (0.35)

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