SCHEMBL13639348

SCHEMBL13639348

COC(=O)c1cccc(C(=O)Oc2ccc(-c3ccc4c(c3COC(=O)C3CC=C(C)S3)N(C)C(=O)C(C)(C)N4)c(OC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.44
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
FAAH O00519 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KMT2A Q03164 1/20 0.30
MAPK1 P28482 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
SCHEMBL14015592 0.95 IL6 (0.44) IL6KMT2A
SCHEMBL14015601 0.94 IL6 (0.46) IL6FAAHDRD2DRD3KMT2A
SCHEMBL13639351 0.92 IL6 (0.46) IL6KMT2A
SCHEMBL14015809 0.90 IL6 (0.46) IL6KMT2A
SCHEMBL14015559 0.90 IL6 (0.45) IL6KMT2A
SCHEMBL14015532 0.88 IL6 (0.44) IL6KMT2AMAPK1
SCHEMBL13639338 0.88 IL6 (0.51) IL6
SCHEMBL13639303 0.88 IL6 (0.47) IL6KMT2A
SCHEMBL13639319 0.87 IL6 (0.48) IL6FAAHDRD3
SCHEMBL14015603 0.86 IL6 (0.46) IL6KMT2A

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
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
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP disclosed