SCHEMBL20172545

SCHEMBL20172545

CC(C)OC(CO)[C@@H](O)CO

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL12507403 0.85 LMNA (0.46) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL8978419 0.85 TSHR (0.36) TDP1LMNATSHR
SCHEMBL14294311 0.84 TDP1 (0.38) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL18089526 0.84 TDP1 (0.38) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL8766931 0.83 LMNA (0.44) TDP1LMNAL3MBTL1KDM4E
SCHEMBL20005538 0.82 TDP1 (0.36) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL15450712 0.82 TDP1 (0.36) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL14895464 0.81 TDP1 (0.40) TDP1TSHR
SCHEMBL13770693 0.81 TDP1 (0.40) TDP1TSHR
SCHEMBL13512903 0.80 TDP1 (0.35) TDP1LMNAL3MBTL1TSHR

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-2280987-B1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN KETTERING INST CANCER RES (US) 2018-05-23 EP disclosed