SCHEMBL20156745

SCHEMBL20156745

CCCCOC(=O)C(C)(C)CC(C)(C)C(=O)OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL27420286 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1ATMTP53
SCHEMBL2623164 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1
SCHEMBL13160759 0.85 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL26290552 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL12026823 0.83 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL20156716 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1ATMTP53
SCHEMBL9957587 0.82 CYP4F2 (0.45) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL18904538 0.82 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL13449843 0.81 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL15984467 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1ATMTP53

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-2018086556-A1 POLYMER AND DEVICE FOR CAPTURING OR SEPARATING LEUCOCYTES, MANUFACTURING METHOD AND USE THEREOF 普瑞博生技股份有限公司 2018-05-17 WO disclosed