SCHEMBL8856972

SCHEMBL8856972

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.43
LMNA P02545 4/20 0.42
SLC15A2 Q16348 1/20 0.42
EGLN1 Q9GZT9 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
PHF8 Q9UPP1 1/20 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
SCHEMBL1406211 0.90 LMNA (0.46) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL27614232 0.89 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL9814840 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL29271678 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL4810549 0.84 LMNA (0.47) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL11305844 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL29271675 0.79 TDP1 (0.38) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL6387474 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL27614240 0.78 TSHR (0.39) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL8856829 0.78 FOLH1 (0.44) NAALAD2

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-5683618-A MIXTURES OF ESTERS, KETONES OR NITRILES FOR LUBRICANTS FOR STABILITY ALBEMARLE CORPORATION (US) 1997-11-04 US disclosed