SCHEMBL29317073

SCHEMBL29317073

CCC(C)(CCCC(C)(C)C(=O)OCCOC)C(=O)OCC1CO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12891592 0.90 CYP4F2 (0.40) ALDH1A1CYP4F2CYP4A11TP53CYP3A4
SCHEMBL19602222 0.86 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL15868636 0.86 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL9952240 0.82 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL10773349 0.80 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL12026823 0.79 ALDH1A1 (0.44) ALDH1A1CYP4F2CYP4A11TP53CYP3A4
SCHEMBL25797198 0.79 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL9925442 0.78 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL27420286 0.78 SMN1; SMN2 (0.42) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL9957587 0.77 CYP4F2 (0.45) ALDH1A1CYP4F2CYP4A11TP53CYP3A4

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
US-20240240047-A1 BIOMEDICAL DEVICES HAVING A SURFACE COATING JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-07-18 US disclosed