SCHEMBL9727660

SCHEMBL9727660

CCCc1cc2c(cc1O)C(C)(C)C(CCc1ccc(SC)cc1)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 1/20 0.31
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL9727725 0.70 AKR1B1 (0.32) MAPT
SCHEMBL6796574 0.63 SLC6A4 (0.53)
SCHEMBL9722386 0.61 HMGCR (0.41) ALOX5LMNAMAPTXBP1HIF1A
SCHEMBL1760537 0.57 HMGCR (0.64) ALOX5LMNAMAPTXBP1HIF1A
SCHEMBL8013800 0.57 RXRA (0.51)
SCHEMBL8641530 0.57 CA2 (0.50) LMNAHIF1A
SCHEMBL1276072 0.56 CYP3A4 (0.49) LMNAMAPT
SCHEMBL2678878 0.56 ALOX5 (0.49) ALOX5LMNAMAPTXBP1HIF1A
SCHEMBL13940077 0.56 SLC6A4 (0.45)
SCHEMBL27498599 0.56 ALOX5 (0.42) ALOX5LMNAMAPTXBP1HIF1A

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-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed