SCHEMBL25329265

SCHEMBL25329265

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.43
TPSD1 Q9BZJ3 2/20 0.43
TPSG1 Q9NRR2 2/20 0.43
FOLH1 Q04609 1/20 0.41
SYK P43405 1/20 0.40
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ABCB1 P08183 1/20 0.38
PPARA Q07869 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKT1 P31749 2/20 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
SCHEMBL16095584 0.87 FOLH1 (0.48) TPSAB1TPSD1TPSG1FOLH1SYK
SCHEMBL16095581 0.87 FOLH1 (0.48) TPSAB1TPSD1TPSG1FOLH1SYK
SCHEMBL29401229 0.87 FOLH1 (0.48) TPSAB1TPSD1TPSG1FOLH1SYK
SCHEMBL9086697 0.82 ABCB1 (0.46) FOLH1SYKLTA4HALDH1A1MAPT
SCHEMBL12574290 0.80 FOLH1 (0.48) TPSAB1TPSD1TPSG1FOLH1SYK
SCHEMBL10419721 0.80 LTA4H (0.49) TPSAB1TPSD1TPSG1SYKLTA4H
SCHEMBL13007477 0.79 ALDH1A1 (0.42) TPSAB1TPSD1TPSG1SYKLTA4H
SCHEMBL1021829 0.78 TPSAB1 (0.52) TPSAB1TPSD1TPSG1FOLH1SYK
SCHEMBL5712142 0.78 TPSAB1 (0.52) TPSAB1TPSD1TPSG1FOLH1SYK
SCHEMBL28480221 0.78 TPSAB1 (0.52) TPSAB1TPSD1TPSG1FOLH1SYK

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-2023143158-A1 PHENOL DERIVATIVE, CRYSTAL FORM THEREOF, AND PREPARATION METHOD THEREFOR 天地恒一制药股份有限公司 2023-08-03 WO disclosed