SCHEMBL8776680

SCHEMBL8776680

CCOC(=O)C(Cl)C(O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 2/20 0.42
AOC3 Q16853 1/20 0.41

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
SCHEMBL8776709 1.00 ALOX15 (0.49) ALOX15L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL6872391 0.87 ALOX15 (0.51) ALOX15L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL6744209 0.87 ALOX15 (0.51) ALOX15L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL6477901 0.87 ALOX15 (0.51) ALOX15L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL28898941 0.85 RAB9A (0.45) L3MBTL1KMT2AALDH1A1MEN1TSHR
SCHEMBL8776664 0.85 RAB9A (0.45) L3MBTL1KMT2AALDH1A1MEN1TSHR
SCHEMBL8776704 0.85 RAB9A (0.45) L3MBTL1KMT2AALDH1A1MEN1TSHR
SCHEMBL11764494 0.84 ALOX15 (0.51) ALOX15KMT2AALDH1A1MEN1HDAC3
SCHEMBL30862344 0.82 MMP8 (0.51) KMT2AMEN1TSHRGAAPOLB
SCHEMBL6608029 0.82 MMP8 (0.51) KMT2AMEN1TSHRGAAPOLB

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
EP-0808824-A2 Process for preparing optically active 2-halogeno-3-hydroxypropionic acid ester TANABE SEIYAKU CO., LTD. (JP) 1997-11-26 EP disclosed