SCHEMBL21782825

SCHEMBL21782825

CC(C)OC(CO)C(O)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 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
SCHEMBL23220490 1.00 TDP1 (0.36) TDP1TSHR
SCHEMBL23220483 1.00 TDP1 (0.36) TDP1TSHR
SCHEMBL13179820 0.91 TDP1 (0.33) TDP1
SCHEMBL14618765 0.85 TDP1 (0.36) TDP1TSHR
SCHEMBL14747616 0.85 TDP1 (0.36) TDP1TSHR
SCHEMBL13770693 0.84 TDP1 (0.40) TDP1TSHR
SCHEMBL14895464 0.84 TDP1 (0.40) TDP1TSHR
SCHEMBL12507403 0.83 LMNA (0.46) TDP1TSHR
SCHEMBL16316044 0.83 TDP1 (0.35) TDP1TSHR
SCHEMBL15925949 0.83 TDP1 (0.35) TDP1TSHR

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-3029041-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2020-03-04 EP disclosed