SCHEMBL13639338

SCHEMBL13639338

COc1cc(OC(=O)C(C)C)ccc1-c1ccc2c(c1COC(=O)C1CC=C(C)S1)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.51
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL13639319 0.92 IL6 (0.48) IL6
SCHEMBL13639351 0.90 IL6 (0.46) IL6MAPT
SCHEMBL14015603 0.90 IL6 (0.46) IL6MAPTSMN1; SMN2
SCHEMBL14015601 0.90 IL6 (0.46) IL6LMNAMAPTTDP1L3MBTL1
SCHEMBL12533028 0.89 IL6 (0.51) IL6
SCHEMBL12533076 0.89 IL6 (0.52) IL6
SCHEMBL13478141 0.89 IL6 (0.47) IL6
SCHEMBL13478162 0.89 IL6 (0.48) IL6
SCHEMBL14015559 0.89 IL6 (0.45) IL6MAPT
SCHEMBL14015809 0.89 IL6 (0.46) IL6MAPTSMN1; SMN2

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
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed