SCHEMBL28890751

SCHEMBL28890751

O=C(O)CC(C(=O)O)(C(=O)O)C(=O)OC(=O)C(CC(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
ACLY P53396 3/20 0.34
CPT2 P23786 2/20 0.33
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL23126 0.80 ALDH1A1 (0.53) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL17818674 0.77 ALDH1A1 (0.50) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL11436629 0.77 ALDH1A1 (0.50) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL7764376 0.77 EGLN1 (0.39) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL17763305 0.74 FFAR3 (0.38) ALDH1A1TSHRFFAR3TDP1
SCHEMBL2548829 0.70 CYP2C19 (0.48) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL4014794 0.70 FFAR3 (0.35) ALDH1A1FFAR3LMNA
SCHEMBL25288451 0.68 ACLY (0.39) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL11206592 0.68 HMGCR (0.48) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2460883 0.67 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

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-108241258-B Resin composition for liquid crystal display device, film for liquid crystal display device, and copolymer 住友化学株式会社 2022-10-18 CN disclosed