SCHEMBL9561839

SCHEMBL9561839

COC(CCC(O)CO)OC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.32
AGTR1 P30556 1/20 0.31
CYP1A2 P05177 1/20 0.31
USP2 O75604 1/20 0.30
PLA2G2C Q5R387 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
SCHEMBL19257463 0.77 THRB (0.43) THRBLMNAALDH1A1TDP1AGTR1
SCHEMBL11274872 0.77 THRB (0.43) THRBLMNAALDH1A1TDP1AGTR1
SCHEMBL10581335 0.76 THRB (0.71) THRBLMNAALDH1A1TDP1USP2
SCHEMBL9742446 0.76 THRB (0.71) THRBLMNAALDH1A1TDP1USP2
SCHEMBL2207927 0.76 THRB (0.71) THRBLMNAALDH1A1TDP1USP2
SCHEMBL7157355 0.76 THRB (0.71) THRBLMNAALDH1A1TDP1USP2
SCHEMBL4122875 0.76
SCHEMBL19257462 0.74 THRB (0.46) THRBLMNAALDH1A1TDP1AGTR1
SCHEMBL19257465 0.74 THRB (0.46) THRBLMNAALDH1A1TDP1AGTR1
SCHEMBL735364 0.73 THRB (0.36) THRBLMNAALDH1A1

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
US-5220003-A Process for the synthesis of 2',3'-dideoxynucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-06-15 US claimed