SCHEMBL6314822

SCHEMBL6314822

Cc1c(N)cc(C(C)(C)C)c2c1CC(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
DHFR P00374 1/20 0.32
HTR2A P28223 1/20 0.30

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
SCHEMBL659226 0.80 DHFR (0.39) DHFRHTR2A
SCHEMBL6321379 0.75 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL20127238 0.73 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL6130770 0.72 ALDH1A1 (0.38) PTGS1PTGS2
SCHEMBL6313856 0.71 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL6313350 0.70 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL682824 0.69 ALDH1A1 (0.39) PTGS1PTGS2
SCHEMBL12733214 0.68
SCHEMBL8877823 0.67 ALDH1A1 (0.36) DHFR
SCHEMBL658195 0.67 ALDH1A1 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed