SCHEMBL8312996

SCHEMBL8312996

CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1)[C@@H](CCCCO)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.48
TPSD1 Q9BZJ3 2/20 0.48
TPSG1 Q9NRR2 2/20 0.48
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 1/20 0.40
SYK P43405 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CCR6 P51684 1/20 0.38
PAX8 Q06710 1/20 0.38
FOLH1 Q04609 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
EPOR P19235 1/20 0.36
LTA4H P09960 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
SCHEMBL17369155 0.98 TPSAB1 (0.47) TPSAB1TPSD1TPSG1L3MBTL1MAPT
SCHEMBL23760082 0.94 TPSAB1 (0.46) TPSAB1TPSD1TPSG1L3MBTL1MAPT
SCHEMBL14744316 0.89 TPSAB1 (0.43) TPSAB1TPSD1TPSG1L3MBTL1MAPT
SCHEMBL23760112 0.87 TPSAB1 (0.46) TPSAB1TPSD1TPSG1L3MBTL1MAPT
SCHEMBL17369164 0.87 SYK (0.46) TPSAB1TPSD1TPSG1L3MBTL1MAPT
SCHEMBL17369165 0.86 TPSAB1 (0.45) TPSAB1TPSD1TPSG1L3MBTL1MAPT
SCHEMBL11007681 0.86 FOLH1 (0.43) TPSAB1TPSD1TPSG1L3MBTL1SYK
SCHEMBL7785339 0.85 TPSAB1 (0.47) TPSAB1TPSD1TPSG1L3MBTL1MAPT
SCHEMBL7785865 0.84 TPSAB1 (0.46) TPSAB1TPSD1TPSG1L3MBTL1MAPT
SCHEMBL5970440 0.84 TPSAB1 (0.44) TPSAB1TPSD1TPSG1L3MBTL1MAPT

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
WO-2004072047-A1 INDOLES, BENZIMIDAZOLES OR NAPHHIMIDAZOLES AS HISTONE DEACETYLASE (HDAC) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed