SCHEMBL21179482

SCHEMBL21179482

CC(O)CC(O)CO.OCCC(O)CCO

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 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
Glycerin SCHEMBL6014344 0.90 THRB (0.57) THRBTDP1LMNAALDH1A1USP2
SCHEMBL8652009 0.87
SCHEMBL285354 0.87
SCHEMBL283526 0.87
SCHEMBL16568192 0.83 THRB (0.42) THRBTDP1USP2CYP3A4SMN1; SMN2
SCHEMBL3856429 0.82 THRB (0.46) THRBTDP1ALDH1A1TSHR
SCHEMBL827872 0.81 TDP1 (0.50) THRBTDP1LMNAALDH1A1USP2
SCHEMBL16556824 0.81 TDP1 (0.50) THRBTDP1LMNAALDH1A1USP2
SCHEMBL15089438 0.81 TDP1 (0.50) THRBTDP1LMNAALDH1A1USP2
SCHEMBL17867203 0.81 THRB (0.40) THRBTDP1ALDH1A1USP2CYP3A4

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-2019142760-A1 HYALURONIDASE ACTIVITY INHIBITOR 株式会社ADEKA 2019-07-25 WO disclosed