SCHEMBL9564946

SCHEMBL9564946

O=C(OCC1CCCO1)C1CCC=CO1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MGLL Q99685 2/20 0.37

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
SCHEMBL4304520 0.84 TP53 (0.37) LMNATP53CYP3A4
SCHEMBL1319534 0.79 LMNA (0.60) LMNAPOLBALDH1A1HTTKMT2A
SCHEMBL16577354 0.77 LMNA (0.58) LMNAPOLBALDH1A1HTTKMT2A
SCHEMBL25310507 0.74 LMNA (0.54) LMNAPOLBALDH1A1TP53CYP3A4
SCHEMBL420577 0.74 ALDH1A1 (0.40) POLBALDH1A1KMT2A
SCHEMBL14422639 0.72 TP53 (0.71) LMNAPOLBALDH1A1HTTKMT2A
SCHEMBL10404054 0.72
SCHEMBL1469483 0.71 LMNA (0.68) LMNAPOLBALDH1A1KMT2ANPSR1
SCHEMBL1829445 0.71 TSHR (0.34) POLBALDH1A1TP53CYP3A4
SCHEMBL6945700 0.70 ALDH1A1 (0.67) LMNAPOLBALDH1A1HTTNPSR1

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-0535828-A1 Photostereolithographic process ZENECA LIMITED (GB) 1993-04-07 EP disclosed