SCHEMBL21291971

SCHEMBL21291971

CCCCOC(=O)OCC1CC(F)CO1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL19876078 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ATMTDP1LMNA
SCHEMBL288246 0.79 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TDP1
SCHEMBL22992380 0.77 ALDH1A1 (0.43) LPAR1LPAR3ALDH1A1LMNAPOLB
SCHEMBL28156462 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1ATMTDP1LMNA
SCHEMBL1469633 0.74 LMNA (0.56) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL1470149 0.72 LMNA (0.51) ALDH1A1LMNAPOLB
SCHEMBL23414150 0.71 RECQL (0.36) SMN1; SMN2LPAR1ALDH1A1ATM
SCHEMBL37837 0.70 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1ATMTDP1LMNA
SCHEMBL28337546 0.70 LMNA (0.55) SMN1; SMN2ALDH1A1TDP1LMNAPOLB
SCHEMBL1470144 0.69 LMNA (0.50) ALDH1A1TDP1LMNAPOLB

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-3529254-A1 PRODRUGS OF CLOFARABINE Wu, Laurence I. (TW) 2019-08-28 EP disclosed