SCHEMBL20729602

SCHEMBL20729602

CSC1O[C@H]([C@H](NC(=O)C(F)(F)F)[C@@H](C)O)[C@@H](O)C(O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
LMNA P02545 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2C P28335 1/20 0.37
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
SCHEMBL14194247 1.00 ALB (0.51) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL24299247 1.00 ALB (0.51) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL26332859 1.00 ALB (0.51) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL25827327 0.88 ALB (0.41) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL24047298 0.88 ALB (0.41) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL24047242 0.88 ALB (0.41) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL25831639 0.88 ALB (0.41) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL26332856 0.82 ALB (0.35) ALBLMNACYP2C9
SCHEMBL20730592 0.79 ALB (0.37) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL23836664 0.78 ALB (0.33) ALBLMNACYP2C9

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-2019032936-A1 LINCONSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT ADN FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed