SCHEMBL28077771

SCHEMBL28077771

O=CCC(=O)OC(=O)CCCCC(=O)OC(=O)CC=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.33
DGKA P23743 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
SCHEMBL3535214 0.87 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28113853 0.83 ALDH1A1 (0.39) ALDH1A1
SCHEMBL23754668 0.80 HIF1A (0.43) ALDH1A1KMT2ATSHRLMNADGKA
SCHEMBL28886290 0.80 HIF1A (0.43) ALDH1A1KMT2ATSHRLMNADGKA
SCHEMBL27918855 0.78 ALDH1A1 (0.45) ALDH1A1TSHRLMNADGKA
SCHEMBL28504933 0.78 HIF1A (0.41) ALDH1A1KMT2ATSHRLMNADGKA
SCHEMBL9301255 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ATSHRLMNADGKA
SCHEMBL3625646 0.78 ALDH1A1 (0.45) ALDH1A1TSHRLMNADGKA
SCHEMBL28075352 0.77 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL28230505 0.75 HIF1A (0.43) ALDH1A1KMT2ATSHRLMNA

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-105745327-A High-yield route for producing compounds from renewable resources 兹莫克姆有限公司 2016-07-06 CN disclosed