SCHEMBL29640472

SCHEMBL29640472

CC(=CCC1CO1)C(=O)O.CC(=CCC1CO1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CD81 P60033 2/20 0.36
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
GRIK2 Q13002 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL5179069 1.00 ALDH1A1 (0.40) ALDH1A1CD81TP53CYP3A4GRIK2
SCHEMBL28302 1.00 ALDH1A1 (0.40) ALDH1A1CD81TP53CYP3A4GRIK2
SCHEMBL20082 1.00 ALDH1A1 (0.40) ALDH1A1CD81TP53CYP3A4GRIK2
SCHEMBL30609972 1.00 ALDH1A1 (0.40) ALDH1A1CD81TP53CYP3A4GRIK2
Bicarbonate SCHEMBL20401648 0.98 ALDH1A1 (0.39) ALDH1A1CD81TP53CYP3A4GRIK2
Ethylene SCHEMBL4370792 0.96 ALDH1A1 (0.42) ALDH1A1CD81TP53CYP3A4GRIK2
SCHEMBL2816459 0.94 CD81 (0.40) ALDH1A1CD81TP53CYP3A4GRIK2
Alcohol SCHEMBL28952323 0.94 ALDH1A1 (0.37) ALDH1A1CD81TP53CYP3A4GRIK2
SCHEMBL29832859 0.94 ALDH1A1 (0.37) ALDH1A1CD81TP53CYP3A4GRIK2
SCHEMBL8512429 0.94 ALDH1A1 (0.37) ALDH1A1CD81TP53CYP3A4GRIK2

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-2022139081-A1 NOVEL GLAUCOMA DRAINAGE DEVICE FOR CONTROLLING INTRAOCULAR PRESSURE 주식회사 티엠디랩 2022-06-30 WO claimed