SCHEMBL9909470

SCHEMBL9909470

C[C@H](O)C(CO)OC(CCCO)n1ccc(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ DUT P33316 6/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ CRBN Q96SW2 1/20 0.32
▸ SLC28A1 O00337 1/20 0.30
▸ SLC28A2 O43868 1/20 0.30
▸ SLC29A1 Q99808 1/20 0.30
▸ SLC28A3 Q9HAS3 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
SCHEMBL13471838 0.89 POLB (0.52) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL23710654 0.89 POLB (0.52) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL19303349 0.89 POLB (0.52) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL19223339 0.86 POLB (0.45) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL19223449 0.85 POLB (0.44) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL19204593 0.85 POLB (0.44) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL13468112 0.82 POLB (0.42) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL13469459 0.82 POLB (0.42) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL20998270 0.82 POLB (0.42) POLBHSD17B10DUTALDH1A1LMNA
SCHEMBL13468258 0.81 POLB (0.41) POLBHSD17B10DUTALDH1A1LMNA

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-2012075140-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-06-07 — — WO disclosed
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