SCHEMBL30311889

SCHEMBL30311889

CC(C)(O)CC(C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ SYK P43405 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TPSAB1 Q15661 2/20 0.41
▸ TPSD1 Q9BZJ3 2/20 0.41
▸ TPSG1 Q9NRR2 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CTRB1 P17538 2/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL16284728 0.87 SYK (0.50) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL16284729 0.85 L3MBTL1 (0.46) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL17369164 0.85 SYK (0.46) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL14744316 0.85 TPSAB1 (0.43) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL14743381 0.84 TPSAB1 (0.43) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL30311905 0.84 L3MBTL1 (0.42) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL23760082 0.82 TPSAB1 (0.46) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL12873853 0.82 L3MBTL1 (0.44) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL23760112 0.82 TPSAB1 (0.46) L3MBTL1SYKALDH1A1TPSAB1TPSD1
SCHEMBL16286028 0.82 ABCB1 (0.49) L3MBTL1SYKALDH1A1TPSAB1TPSD1

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-115850120-A Preparation method of alcohol alpha-carbon hydrogen bond alkylated compound 浙江工业大学 2023-03-28 — — CN disclosed
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