SCHEMBL28525979

SCHEMBL28525979

O=C(O)CCCC(CC1CCC(OCC2CO2)CC1)C(=O)OCC1CCC(OCC2CO2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
FOLH1 Q04609 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL15707669 0.80 ALDH1A1 (0.38) FOLH1TP53CYP3A4ALDH1A1
SCHEMBL28518599 0.78
SCHEMBL28519531 0.74 ALDH1A1 (0.46) LMNATP53CYP3A4ALDH1A1
SCHEMBL466250 0.72 PPM1B (0.34) LMNAFOLH1
SCHEMBL23236463 0.70 TP53 (0.30) TP53CYP3A4
SCHEMBL6693681 0.69 PPM1B (0.34) LMNA
SCHEMBL9188851 0.68 SMN1; SMN2 (0.36) LMNAFOLH1ALDH1A1
SCHEMBL8096669 0.68 LMNA (0.37) LMNAFOLH1
SCHEMBL4655420 0.66 FOLH1 (0.47) LMNAFOLH1
SCHEMBL18737498 0.65 GPR84 (0.36) ALDH1A1

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
CN-112449644-A Use of heterocyclic amines containing primary or secondary amines as polymer catalysts or hardeners 齐默尔根公司 2021-03-05 CN claimed