SCHEMBL9549676

SCHEMBL9549676

O=C(O)CCC(CC(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 4/20 0.40
TSHR P16473 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CPT2 P23786 2/20 0.36

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
SCHEMBL4810549 0.86 LMNA (0.47) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL28312 0.80 ALDH1A1 (0.53) ALDH1A1LMNATSHRCYP2D6CYP2C19
SCHEMBL11305844 0.77 ALDH1A1 (0.56) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL8856972 0.77 ALDH1A1 (0.45) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL4347798 0.77 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP2D6CYP2C19
SCHEMBL6629783 0.77 CYP2D6 (0.44) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL6387474 0.75 ALDH1A1 (0.48) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL29164211 0.74 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL1311882 0.72 LMNA (0.44) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL17480770 0.72 ALDH1A1 (0.46) ALDH1A1LMNATSHRCYP2D6CYP2C19

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-5240629-A REFRIGERANT COMPOSITIONS ETHYL CORPORATION (US) 1993-08-31 US disclosed