SCHEMBL8068619

SCHEMBL8068619

CCC(CC)(C(=O)O)C(=O)OCCCCCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
NAAA Q02083 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.39
CETP P11597 3/20 0.39

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
SCHEMBL6131620 0.90 KMT2A (0.45) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL26923375 0.87 TSHR (0.46) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL14782773 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL10712569 0.83 LMNA (0.55) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL5603445 0.82 ALDH1A1 (0.55) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL26923390 0.82 TSHR (0.46) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL8609385 0.81 L3MBTL1 (0.47) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL6483355 0.81 MMP8 (0.46) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL7847350 0.80 HCAR2 (0.47) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL7821115 0.78 L3MBTL1 (0.48) L3MBTL1TDP1TSHREPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030993-A INHIBITORS OF CARNITINE PALMITOYL TRANSFERASE; ANTIDIABETIC,-LIPEMIC AND HYPOGLYCEMIC AGENTS; SIDE EFFECT REDUCTION SANG SUP JEW (KR) 2000-02-29 US disclosed
WO-1998000389-A1 2-HYDROXYPROPIONIC ACID DERIVATIVE AND ITS MANUFACTURING METHOD JEW SANG SUP (KR) 1998-01-08 WO disclosed